131. | Gohlke, H., Herzog, M., Spuck, J. Navigating the Future of AI and IP in Europe. C5 Conference on Pharma & Biotech Patent Litigation in Europe, Amsterdam, The Neatherlands, May 29th - May 30th, 2024. (Invited lecture) |
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130. | Gohlke, H. From inhibiting plant ripening to delivering active ingredients to leaf surfaces. 3rd German Workshop on Structural Predictions of Membrane Proteins, Jülich, Germany, February 26th - February 27th, 2024. (Invited lecture) |
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129. | Gohlke, H. Advancing the understanding of HCN2 channels at the molecular level. 5th Chembion Symposium, Münster, Germany, February 16th, 2024. (Invited lecture) |
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128. | Gohlke, H., Cramer, J. COS recognition by human chitinase-like proteins: From atomistic level to physiological function. CodeChi Kick-Off Meeting, Siegen, Germany, February 1st - February 2nd, 2024. |
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127. | Gohlke, H. LISTER: Semi-automatic metadata extraction from annotated experiment documentation in eLabFTW. EnzyML Webinar, Stuttgart, Germany, November 6th, 2023. (Invited lecture) |
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126. | Gohlke, H. Hybrid approach to predict super-tertiary and quaternary structure of proteins and protein complexes in cells. BMBF Status Seminar Computational Life Science, Marburg, Germany, September 25th - September 26th, 2023. |
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125. | Gohlke, H. Drug delivery to an unusual patient: The atomistic view on functional components of the greenRelease technology. 10th Polish-German Symposium on Pharmaceutical Sciences, Duesseldorf, Germany, September 22th - September 23th, 2023. (Keynote lecture) |
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124. | Gohlke, H. Advancing the understanding of HCN2 channels at the molecular level. DynIon Symposium, Jena, Germany, June 15th - June 17th, 2023. (Invited lecture) |
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123. | Gohlke, H. Hidden states and long-range impact on protein function. TRABITA Workshop, Trifels, Germany, March 1st - March 3rd, 2023. (Invited lecture) |
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122. | Gohlke, H. Integrative modeling of dynamic biomolecular structures. 2nd German Workshop on Structural Predictions of Membrane Proteins, Jülich, Germany, February 7th - February 8th, 2023. (Invited lecture) |
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121. | Gohlke, H. Integrative modeling of dynamic biomolecular structures. Spring Conference of the German Physical Society, Regensburg, Germany, September 4th - September 9th, 2022. (Keynote lecture) |
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120. | Gohlke, H. Structure-based computational biotechnology. Nordic POP Seminar Series Uppsala, Sweden, online, January 20, 2022. (Invited lecture) |
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119. | Gohlke, H. Enzyme function - much to understand, optimize, and discover. DASHH Data Science Colloquium Hamburg, online, December 16, 2021. (Invited lecture) |
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118. | Gohlke, H. Structure-based computational biotechnology. CEPLAS/Düsseldorf SynBio x CoESB/Australia Transoceanic Synthetic Biology Seminar Series, online, November 15, 2021. (Invited lecture) |
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117. | Gohlke, H. Structure-based computational biotechnology. Indian Conference on Bioinformatics 2021 (#InBix2021), CSIR-NEIST, Jorhat, India (online), November 11 - November 13, 2021. (Invited lecture) |
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116. | Gohlke, H. Towards predicting supertertiary and quaternary structure of proteins and protein complexes in cells. IQB Seminar Series, Rutgers University, NJ, USA (online), November 11, 2021. (Invited lecture) |
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115. | Gohlke, H. Structure-based computational enzyme engineering. Inauguration Symposium of the Atomistic Simulation Center Erlangen, online, October 26 - October 27, 2021. (Invited lecture) |
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114. | Gohlke, H. Towards predicting supertertiary and quaternary structure of proteins and protein complexes in cells. Annual DPhG - Meeting 2021, online, September 29 - October 1, 2021. (Invited lecture) |
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113. | Gohlke, H. Molecular simulations of physiological and pathophysicological processes in liver cells. Liver damage and liver regeneration - 20 years of liver research in the CRCs 575 and 974, North Rhine-Westphalian Academy of Sciences and Arts, online, September 22, 2021. |
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112. | Gohlke, H. Structure-based computational enzyme engineering. German Conference on Synthetic Biology (GCSB 2021) - Engineering Living Systems, online, September 13 - September 17, 2021. (Keynote lecture) |
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111. | Gohlke, H. Automated and optimally FRET-assisted structural modeling. Amber Developers Meeting, online, February 12, 19, and 26, 2021. (Invited lecture) |
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110. | Gohlke, H. From protein structure prediction to mechanistic insights into signaling and disease diagnostics. NIC Symposium, Jülich, Germany, February 27 - February 28, 2020. (Invited lecture) |
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109. | Gohlke, H. Template- and coevolution-based protein structure prediction using deep neural networks. German Workshop on Structural Predictions of Membrane Proteins, Jülich, Germany, November 26th - November 27th, 2019. (Invited lecture) |
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108. | Gohlke, H. Approaches in computational enzyme engineering. 3rd International Biotechnology Congress (IBC-2019), Singapur, Singapur, October 25th - October 27th, 2019. (Invited lecture) |
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107. | Gohlke, H. What to gain from protein statics. Satellite symposium to the 33rd Molecular Modelling Workshop, Erlangen, Germany, April 11th - April 11th, 2019. (Invited lecture) |
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106. | Gohlke, H. Functional selectivity and basal activity of G-protein coupled receptors deduced from network rigidity. CECAM Workshop Multiscale Modeling from Macromolecules to Cell: Opportunities and Challenges of Biomolecular Simulations, Lausanne, Switzerland, February 4th - February 6th, 2019. (Invited lecture) |
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105. | Gohlke, H. Functional selectivity and basal activity of G-protein coupled receptors deduced from network rigidity. International Conference on Advances in Material Science and Applied Biology(AMSAB-2019), Mumbai, India, January 8th - January 10th, 2019. (Keynote lecture) |
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104. | Gohlke, H. Approaches in computational enzyme engineering. Aachen Protein Engineering Symposium, Aachen, Germany, October 7th - October 10th, 2018. (Invited lecture) |
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103. | Gohlke, H. What to get from floppy modes? Linking biomolecular flexibility and thermodynamics. CECAM Workshop Normal modes of biological macromolecules: methods and applications, Paris, France, September 12th - September 14rd, 2018. (Invited lecture) |
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102. | Gohlke, H. Free energy profile and the dimer-to-monomer equilibrium of the phospholipase PlaF from Pseudomonas aeruginosa. 256th ACS National Meeting, Boston, MA, USA, August 19th - August 23rd, 2018. |
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101. | Gohlke, H. From hot spots and transient pockets to inhibitors of protein-protein interactions with in vivo activity. BMFZ Symposium 2018, Duesseldorf, Germany, July 5th, 2018. (Invited lecture) |
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100. | Gohlke, H. Molecular mechanisms of glutamine synthetase deactivation and reactivation. Protein Electrostatics Meeting 2018, Belgrade, Serbia, June 25th - June 28th, 2018. |
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99. | Gohlke, H. Supercomputing and modeling at the molecular level for the human brain. Computing in Chemistry, Biology, and Medicine 2017, Hyderabad, India, November 29th - November 30th, 2017. (Invited lecture) |
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98. | Gohlke, H. Differential action of agonists, antagonists, and inverse agonists of the β2 adrenoreceptor deduced from network rigidity. 2nd International Conference on Bioinformatics, Simulations and Modeling 2017, Talca, Chile, November 20th - November 24th, 2017. (Invited lecture) |
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97. | Gohlke, H. Supercomputing and modeling for the human brain at the molecular level. Supercomputing and Modeling for the Human Brain General Assembly 2017, Jülich, Germany, November 7th - November 8th, 2017. (Keynote lecture) |
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96. | Gohlke, H. Differential action of agonists, antagonists, and inverse agonists of the β2 adrenoreceptor deduced from network rigidity. GCC 2017 - 13th German Conference on Chemoinformatics, Mainz, Germany, November 5th - November 7th, 2017. (Invited talk) |
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95. | Gohlke, H. Efficient approximation of configurational entropy changes upon binding to biomolecules. 11th Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC 2017), Muenchen, Germany, August 27 - September 1, 2017. (Invited talk) |
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94. | Gohlke, H. Efficient approximation of configurational entropy changes upon binding to biomolecules. 254th ACS National Meeting, Washington, DC, USA, August 20 - August 24, 2017. (Invited talk) |
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93. | Gohlke, H. Efficient approximation of configurational entropy changes upon binding to biomolecules. 5th Indo-German conference on "Modeling Chemical and Biological (Re-)activity" (MCBR5), Chennai, India, February 18 - February 21, 2017. (Invited talk) |
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92. | Gohlke, H. From determinants of Hsp90 dimerization to peptidic and non-peptidic dimerization inhibitors. 8th International Conference on the Hsp90 Chaperone Machine, Seeon, Germany, November 2 - November 15, 2016. |
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91. | Gohlke, H. Computergestützte Vorhersage der Modulation intra- und intermolekularer Interaktionen für das Bioprinting. BIO.NRW.academy Bioprinting, Köln, Germany, September 15, 2016. (Invited talk) |
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90. | Gohlke, H. Interpreting thermodynamic profiles of aminoadamantane compounds inhibiting the M2 proton channel of influenza A by free energy calculations. 252nd ACS National Meeting, Philadelphia, PA, USA, August 21 - August 25, 2016. (Invited talk) |
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89. | Gohlke, H. Application of rigidity theory to the thermostabilization of proteins. EuroCUP IX, Nice, France, June 15 - June 17, 2016. |
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88. | Gohlke, H. Application of rigidity theory to the thermostabilization of proteins. International Conference on Molecular Interaction Engineering, Karlsruhe, Germany, June 15 - June 16, 2016. (Invited talk) |
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87. | Gohlke, H. From hot spots and transient pockets to inhibitors of protein-protein interactions with in vivo activity. PIRAMID Symposium, Nantes, France, June 10, 2016. (Invited talk) |
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86. | Gohlke, H. From determinants of protein binding straight to inhibitors of protein-protein interactions. 9th Annual World Protein & Peptide Conference, Dalian, China, April 25 - April 28, 2016. |
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85. | Gohlke, H. How does RNA control gene expression: Interplay of structural stability and dynamics. 6th Annual World Congress of Molecular & Cell Biology, Dalian, China, April 25 - April 28, 2016. |
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84. | Gohlke, H. Interplay of structural dynamics with biomolecular function and malfunction. Symposium of the Scientific Counsel of the John von Neumann Institute for Computing, Jülich, Germany, April 15, 2016. (Invited talk) |
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83. | Gohlke, H. Application of rigidity theory to the thermostabilization of proteins. 251st ACS National Meeting, San Diego, CA, USA, March 13 - March 17, 2016. |
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82. | Gohlke, H. Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit. Biophysics in the Understanding, Diagnosis, and Treatment of Infectious Diseases, Stellenbosch, South Africa, November 16 - November 20, 2015. |
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81. | Gohlke, H. Complex long-distance effects of mutations that confer linezolid resistance in the large ribosomal subunit. 4th Indo-German seminar on "Modeling Chemical and Biological (Re-)activity" (MCBR4), Delhi, India, November 07, 2015. (Invited talk) |
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80. | Gohlke, H. Application of rigidity theory to the thermostabilization of proteins. Juelich Biotech Day 2015, Juelich, Germany, Oktober 10, 2015. (BioSC lecture) |
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79. | Gohlke, H. Interplay of structural stability and dynamics: Control of gene expression by RNA. DPhG Annual Meeting 2015, Duesseldorf, Germany, September 23 - September 25, 2015. |
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78. | Gohlke, H. Interplay of structural stability and dynamics: Control of gene expression by RNA. 10th European Conference on Computational Chemistry , Fulda, Germany, August 31 - September 3, 2015. (Plenary talk) |
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77. | Gohlke, H. Predicting orphan allosteric binding sites. 1st European Conference on Therapeutic Targets and Medicinal Chemistry (TTMC), Muenster, Germany, August 26 - August 27, 2015. (Keynote lecture) |
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76. | Gohlke, H. Predicting orphan allosteric binding sites. 8th Polish-German Symposium on Pharmaceutical Science, Kiel, Germany, May 29 - May 30, 2015. |
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75. | Gohlke, H. Analyzing biomacromolecules as frameworks. 9th IMPRS-MBM Graduate School Meeting "Insights into Molecular and Cellular Dynamics", Münster, Germany, May 6 - May 8, 2015. (Invited talk) |
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74. | Gohlke, H. Predicting orphan allosteric binding sites. 9th Drug Design & Medicinal Chemistry Conference, Berlin, Germany, May 5 - May 6, 2015. (Invited talk) |
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73. | Gohlke, H. Interplay of structural stability and dynamics: Control of gene expression by RNA. 4th Indo-German conference on "Modeling Chemical and Biological (Re-)activity" (MCBR4), Heidelberg, Germany, February 23 - February 26, 2015. (Invited talk) |
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72. | Gohlke, H. Interplay of structural stability and dynamics: Control of gene expression by RNA. NZMS/NZSBMB Joint Conference – Molecules and Microbes, Wellington, New Zealand, November 18 - November 21, 2014. |
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71. | Gohlke, H. From hot spots and transient pockets straight to inhibitors of protein-protein interactions. Satellite Meeting "Frontiers of Biology - From Protein Structure and Function to Drugs", Wellington, New Zealand, November 16 - November 17, 2014. (Plenary talk) |
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70. | Gohlke, H. Identification of a mechanism‐of‐action target exploiting similarities of chemotypes and signalling events, and biophysical simulations. DPhG Annual Meeting 2014, Frankfurt, Germany, September 23 - September 26, 2014. |
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69. | Gohlke, H. Predicting dynamically dominated allostery from Constraint Network Analysis. 20th EuroQSAR Conference, St. Petersburg, Russia, August 31 - September 4, 2014. |
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68. | Gohlke, H. From hot spots and transient pockets straight to inhibitors of protein-protein interactions. EuroCUP VII Meeting, Mery-sur-Oise, France, May 14 - May 16, 2014. (Invited talk) |
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67. | Gohlke, H. Interplay of structural stability and dynamics: Control of gene expression by RNA. NIC Symposium, Jülich, Germany, February 12 - February 13, 2014. |
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66. | Gohlke, H. Effectors of integrin activation. 1. International Conference of Collaborative research Center SFB 974, Düsseldorf, Germany, November 15 - November 16, 2013. |
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65. | Gohlke, H. Analyzing biomacromolecules as frameworks: how (changes in) protein flexibility influence(s) molecular recognition. DPhG Annual Meeting 2013, Freiburg, Germany, October 9 - October 11, 2013. |
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64. | Gohlke, H. From determinants of binding to modulators of protein-protein interactions. Conference on Drug Discovery & Drug Design: ChemBio Interactions, Lyon, France, October 3 - October 4, 2013. (Invited talk) |
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63. | Gohlke, H. Analyzing statics of biomolecules. Int. Seminar Germany-Chile: From Plant Biology To Computational Chemistry and Molecular Bioinformatics, Talca, Chile, September 9 - September 13, 2013. (Invited talk) |
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62. | Gohlke, H. From Determinants of RUNX1/ETO Tetramerization to Small-Molecule Protein-Protein Interaction Inhibitors Targeting Acute Myeloid Leukemia. CHI's 13th Annual Structure-Based Drug Design Conference, Boston, MA, USA, June 19 - June 21, 2013. (Invited talk) |
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61. | Gohlke, H. Effectors of integrin activation. Workshop on Integrin Function (SFB 974), Düsseldorf, Germany, June 5, 2013. |
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60. | Gohlke, H. Analyzing biomacromolecular flexibility with Constraint Network Analysis. 3rd Indo-German conference on Modelling Chemical and Biological (Re) activity (MCBR3), Chandigarh, India, February 26 - March 1, 2013. (Invited talk) |
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59. | Gohlke, H. Analyzing biomacromolecular flexibility: from fuzzy constraint networks to entropically dominated allostery. Workshop on "Frontiers in Biomolecular Sciences: From Molecules to Cells", Juelich, Germany, November 7 - November 9, 2012. (Invited talk) |
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58. | Gohlke, H. α5ß1-Integrins act as TUDC receptors in hepatocytes. 22nd International Bile Acid Meeting (Hepatic and Extrahepatic Targets of Bile Acid Signaling), Vienna, Austria, September 14 - September 15, 2012. (Invited talk) |
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57. | Gohlke, H. From determinants of binding to modulators of protein-protein interactions. 22nd International Symposium on Medicinal Chemistry (EFMC-ISMC), Berlin, Germany, September 2 - September 6, 2012. (Invited talk) |
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56. | Gohlke, H. Analyzing biomacromolecular flexibility: From fuzzy constraint networks to entropically dominated allostery. ISQBP President's Meeting, Stockholm, Sweden, June 17 - June 20, 2012. (Invited talk) |
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55. | Gohlke, H. From determinants of small-molecule binding to protein-protein interaction modulators. 243rd ACS National Meeting, San Diego, CA, USA, March 25 - March 29, 2012. (Invited talk) |
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54. | Gohlke, H. Rigorous and approximate computation of entropy changes upon complex formation. Structural and Computational Chemistry, Discovery Chemistry Congress, Munich, Germany, March 13 - March 14, 2012. (Keynote lecture) |
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53. | Gohlke, H. Analyzing biomacromolecular flexibility by constraint counting. International Conference "Modeling of molecular properties", Heidelberg, Germany, October 9 - October 11, 2011. (Invited talk) |
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52. | Gohlke, H. Statics of the ribosomal exit tunnel. CECAM Workshop "Dynamics of protein-nucleic acid interactions: Integrating simulations with experiment", Zurich, Switzerland, September 14 - September 16, 2011. (Invited talk) |
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51. | Gohlke, H. Analyzing biomacromolecular flexibility by constraint counting. 2nd Workshop on "New Trends in Computational Chemistry for Industrial Applications", Barcelona, Spain, May 26 - May 27, 2011. (Invited talk) |
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50. | Gohlke, H. Estimating entropy changes upon complex formation. CECAM Workshop "Dynamics and thermodynamics of biomolecular recognition", Palaiseau, France, May 5 - May 7, 2011. (Invited talk) |
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49. | Gohlke, H. Towards targeting protein-protein interfaces with small molecules. 3rd Annual World Congress of BioSoft, Peking, China, March 23 - March 25, 2011. (Invited talk) |
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48. | Gohlke, H. Using statics concepts to analyze and model molecular recognition phenomena involving RNA. 51th Sanibel Symposium, St. Simons Island, GA, USA, February 25 - March 1, 2011. (Invited talk) |
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47. | Gohlke, H. Towards targeting protein-protein interfaces with small molecules. 6th German Conference on Chemoinformatics, Goslar, Germany, November 7 - November 9, 2010. (Invited talk) |
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46. | Gohlke, H. Biomacromolecular flexibility analyzed by constraint counting. Kolleg for Humboldt Fellows and Awardees in China, Shanghai, China, September 17 - September 19, 2010. (Invited talk) |
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45. | Gohlke, H. Knowledge-driven approaches towards targeting protein-protein interfaces with small molecules. 4th Humboldt Conference on Computational Chemistry, Varna, Bulgary, July 12 - July 15, 2010. (Invited talk) |
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44. | Gohlke, H. Estimating entropic contributions to binding accurately and efficiently. Graduiertenkolleg 850 "Modellierung von Molekueleigenschaften", University of Heidelberg, Heidelberg, Germany, July 2, 2010. (Invited talk) |
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43. | Gohlke, H. Neither small nor unimportant, yet overlooked: How much unbound ligands contribute to the thermodynamic inhibition profile of thrombin inhibitors. EuroCUP IV meeting, Bergisch-Gladbach, Germany, April 26 - April 30, 2010. (Invited talk) |
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42. | Gohlke, H. Efficient estimate of vibrational entropy changes upon complex formation by analyzing biomacromolecular frameworks. 239th ACS National Meeting, San Francisco, USA, March 21 - March 25, 2010. (Invited talk) |
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41. | Gohlke, H. Molecular recognition properties of "general" fluorobases - Unveiling the Janus face of organic fluorine. Molecular Modeling Workshop 2010, Erlangen, Germany, March 15 - March 16, 2010. (Invited talk) |
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40. | Gohlke, H. Selectivity determinants of ribosomal antibiotics binding sites. Symposium "Novel agents against infectious diseases - an interdisciplinary approach" (SFB 630), Wuerzburg, Germany, October 7 - October 10, 2009. (Invited talk) |
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39. | Gohlke, H. Knowledge-driven approach for modulating protein-protein interactions with small molecules. 2nd Symposium on "Modeling Chemical and Biological (Re-)activity" (MCBR2), Wildbad Kreuth, Germany, October 4 - October 7, 2009. (Invited talk) |
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38. | Gohlke, H. AFMoC: Tailor-made scoring for improved pose and affinity predictions. Tripos Science Summit, Munich, Germany, September 28 - September 29, 2009. (Invited talk) |
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37. | Gohlke, H. Analyzing the active role of the ribosomal exit tunnel by modeling approaches at multiple scales. Status- und Perspektivseminar des SFB 716, Kloster Irsee, Germany, September 20 - September 23, 2009. (Invited talk) |
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36. | Gohlke, H. Multi-scale modeling of macromolecular conformational changes. Model(l)ing'09, Erlangen, Germany, September 7 - September 11, 2009. |
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35. | Gohlke, H. Knowledge-driven design of protein-protein interaction modulators. "Group of Medicinal Chemists of the Atlantic Arc", 18th Conference, Trinity College Dublin, Ireland, September 3 - September 4, 2009. (Invited talk) |
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34. | Gohlke, H. Multiscale modeling of macromolecular conformational changes. 1st International Conference on Computational & Mathematical Biomedical Engineering (CMBE09), Swansea, UK, June 28 - July 1, 2009. |
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33. | Gohlke, H. AFMoC^con: Incorporating ligand and receptor conformational variability into tailor-made scoring functions. EuroCUP III meeting, Toledo, Spain, April 22 - April 24, 2009. (Invited talk) |
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32. | Gohlke, H. Towards targeting protein-protein interfaces with small molecules. Symposium Chemogenomics in Drug Discovery, Universidad San Pablo CEU, Madrid, April 21, 2009. (Invited talk) |
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31. |
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30. | Gohlke, H. Computational approaches to target protein-protein interfaces with small molecules. Minisymposium Perspectives in Chemical Biology, Helmholtz Zentrum, Munich, July 16, 2008. (Invited talk) |
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29. | Gohlke, H. Unveiling the Janus face of organic fluorine. EuroCup II meeting, Strasbourg, France, April 16 - April 18, 2008. (Invited talk) |
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28. | Gohlke, H. Elastic potential grids - A new paradigm for fully-flexible docking. Keystone Symposium "Computer-Aided Drug Design", Steamboat Springs, CO, USA, March 29 - April 3, 2008. (Invited talk) |
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27. | Gohlke, H. Analyzing the role of the ribosomal tunnel by modeling approaches at multiple scales. Modeling Chemical and Biological (Re)activity, Hyderabad, India, September 26 - September 29, 2007. (Invited talk) |
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26. | Gohlke, H. Case study session - Plasticity, entropy, allostery: Third time is a charm. From Structural Genomics to Drug Discovery: Modeling the Flexibility, Parma, Italy, September 20 - September 21, 2007. (Invited talk) |
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25. | Gohlke, H. Protein flexibility and mobility in structure-based drug design. From Structural Genomics to Drug Discovery: Modeling the Flexibility, Parma, Italy, September 20 - September 21, 2007. (Invited talk) |
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24. | Gohlke, H. Hybrid solvation model for MM-PB/SA free energy calculations. 233rd ACS National Meeting, Chicago, IL, USA, March 25 - March 29, 2007. (Invited talk) |
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23. | Gohlke, H. Reviving crystal structures for drug design: Flexibility and mobility information deduced from network representations of biomolecules. Jahrestagung der DGK und DGKK, Bremen, Germany, March 5 - March 9, 2007. (Invited talk) |
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22. | Gohlke, H. RNA as drug target: new challenges to scoring and flexibility predictions 47th Sanibel Symposium, St. simons Island, GA, USA, January 22 - January 27, 2007. (Invited talk) |
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21. | Gohlke, H. Modeling approaches at multiple scales to analyze the active role of the ribosomal tunnel. CCPB Conference on Biomolecular Simulation, Nottingham, United Kingdom, January 3 - January 5, 2007. (Invited talk) |
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20. | Gohlke, H. Topological network representation applicable to flexibility predictions of RNA structures. 7th Spanish Symposium on Bioinformatics and Computational Biology, Zaragoza, Spain, November 20 - 23 November, 2006. (Invited talk) |
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19. | Gohlke, H. Allosteric regulation by rigidity percolation. ISQBP President's Meeting, Strasbourg, France, June 24 - June 27, 2006. (Invited talk) |
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18. | Gohlke, H. Multi-scale modeling of macromolecular conformational changes. Workshop on Rigidity, Flexibility, and Motion, Tempe, AZ, USA, May 14 - May 18, 2006. |
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17. | Gohlke, H. Better knowledge - better scoring: Tailoring DrugScore to a particular protein yields improved pose and affinity predictions and allows to incorporate conformational variability. ACS National Meeting, Atlanta, GA, USA, March 26 - March 30, 2006. (Invited talk) |
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16. | Gohlke, H. Multi-scale modeling of macromolecular conformational changes. Workshop on Dynamics under Constraints, Barbados, January 13 - January 20, 2006. |
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15. | Gohlke, H. Modeling macromolecular flexibility and plasticity. Gordon Research Conference on Computer-Aided Drug Design, Tilton, NH, USA, July 31 - August 5, 2005. (Invited talk) |
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14. | Gohlke, H. Analyzing flexibility and modeling plasticity of macromolecules. International Workshop on New Approaches in Drug Design and Discovery, Rauischholzhausen, Germany, March 21 - March 24, 2005. (Invited talk) |
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13. | Gohlke, H., Kuhn L. A., Case D. A. Changes in the energetics and flexibility of proteins upon macromolecular association. Nachwuchswissenschaftler-Symposium Bioorganische Chemie, Hamburg, Germany, September 13 - September 15, 2004. |
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12. | Gohlke, H., Kuhn L. A., Case D. A. Influence of complex formation on protein flexibility investigated by a molecular framework approach. 15th European Symposium on QSAR & Molecular Modeling (EuroQSAR2004), Istanbul, Turkey, September 5 - September 10, 2004. |
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11. | Gohlke, H., Kuhn L. A., Case D. A. Changes in the flexibility of proteins upon macromolecular association. BIRS Workshop: Modeling Protein Flexibility and Motion, Banff, Canada, July 17 - July 22, 2004. |
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10. | Gohlke, H., Case, D. A. Using computational approaches to provide insight into protein-protein binding. Novartis/TSRI Science Workshop, Burgenstock, Switzerland, June 30 - July 2, 2003. (Invited talk) |
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9. | Gohlke, H., Case, D. A. Insights into protein-protein binding by binding free energy calculation and free energy decomposition using a Generalized Born model. 225th ACS National Meeting, New Orleans, LA, USA, March 23 - March 27, 2003. |
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8. | Gohlke, H., Klebe, G. Scoring protein-ligand interactions: developments and applications in virtual screening. 27th Meeting of the Federation of European Biochemical Societies, Lisbon, Portugal, June 30 - July 5, 2001. (Invited talk) |
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7. | Gohlke, H., Klebe, G. Protein-specific adaptation of knowledge-based pair-potentials: Combining receptor information and 3D QSAR ligand analysis. 15th Molecular Modeling Workshop, Darmstadt, Germany, May 22 - May 23, 2001. |
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6. | Gohlke, H., Klebe, G. Fishing for ligands: Computational approaches to predict binding affinities of potential leads. Europäisches Graduiertenkolleg, Metz, Frankreich, January 25 - January 27, 2001. (Invited talk) |
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5. | Gohlke, H., Klebe, G. Fishing for ligands: Computational approaches to predict binding affinities of potential leads. MM2000, Melbourne, Australia, December 5 - December 8, 2000. (Invited talk) |
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4. | Gohlke, H., Dullweber, F., Kamm, W., Maerz, J., Kissel, T., Klebe, G. Prediction of human intestinal absorption using a combined "Simulated Annealing/Backpropagation Neural Network" approach. EuroQSAR2000, Düsseldorf, Germany, August 27 - September 1, 2000. |
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3. | Gohlke, H., Klebe, G. Predicting binding affinities and "hot spots" for protein-ligand complexes using a knowledge-based scoring function. 14th Molecular Modeling Workshop, Darmstadt, Germany, May 30 - May 31, 2000. |
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2. | Gohlke, H., Hendlich, M., Klebe, G. Using empirical potentials to predict protein-ligand interactions. Workshop on Virtual Screening, Rauischholzhausen, Germany, March 15 - March 18, 1999. |
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1. | Gohlke, H., Hendlich, M., Klebe, G. Development of a knowledge-based scoring function to predict protein-ligand interactions. Doktorandentagung der DPhG, Freiburg, Germany, March 11 - March 13, 1999. |