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Current Topics in Medicinal Chemistry
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October 14, 2010
Accounting for induced-fit effects in docking: what is possible and what is not?
Christoph A Sotriffer
Journal of Medicinal Chemistry
|
April 29, 2005
"In situ cross-docking" to simultaneously address multiple targets
Christoph A Sotriffer, Ingo Dramburg
Journal of Chemical Information and Modeling
|
May 28, 2013
SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein-ligand complexes
David Zilian, Christoph A Sotriffer
Plos One
|
May 22, 2015
Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations
Benjamin Merget, Christoph A Sotriffer
Journal of Chemical Information and Modeling
|
March 17, 2010
Molecular dynamics simulations of the HIV-1 integrase dimerization interface: guidelines for the design of a novel class of integrase inhibitors
Martin Sippel, Christoph A Sotriffer
Molecular Informatics
|
November 22, 2016
Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes
Lukas P Pason, Christoph A Sotriffer
Journal of Molecular Biology
|
February 24, 2007
Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experiments
Paul Czodrowski, Christoph A Sotriffer, Gerhard Klebe
Journal of Chemical Information and Modeling
|
May 17, 2007
Atypical protonation states in the active site of HIV-1 protease: a computational study
Paul Czodrowski, Christoph A Sotriffer, Gerhard Klebe
Journal of Computer-Aided Molecular Design
|
November 15, 2011
Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug design
Benjamin Schaefer, Caroline Kisker, Christoph A Sotriffer
Journal of Medicinal Chemistry
|
May 3, 2002
Docking into knowledge-based potential fields: a comparative evaluation of DrugScore
Christoph A Sotriffer, Holger Gohlke, Gerhard Klebe
Page
of 6
Search research articles
Search
Showing results (1-10 of 52) with videos related to
Sort By:
Page
of 6
Current Topics in Medicinal Chemistry
|
October 14, 2010
Accounting for induced-fit effects in docking: what is possible and what is not?
Christoph A Sotriffer
Journal of Medicinal Chemistry
|
April 29, 2005
"In situ cross-docking" to simultaneously address multiple targets
Christoph A Sotriffer, Ingo Dramburg
Journal of Chemical Information and Modeling
|
May 28, 2013
SFCscore(RF): a random forest-based scoring function for improved affinity prediction of protein-ligand complexes
David Zilian, Christoph A Sotriffer
Plos One
|
May 22, 2015
Slow-Onset Inhibition of Mycobacterium tuberculosis InhA: Revealing Molecular Determinants of Residence Time by MD Simulations
Benjamin Merget, Christoph A Sotriffer
Journal of Chemical Information and Modeling
|
March 17, 2010
Molecular dynamics simulations of the HIV-1 integrase dimerization interface: guidelines for the design of a novel class of integrase inhibitors
Martin Sippel, Christoph A Sotriffer
Molecular Informatics
|
November 22, 2016
Empirical Scoring Functions for Affinity Prediction of Protein-ligand Complexes
Lukas P Pason, Christoph A Sotriffer
Journal of Molecular Biology
|
February 24, 2007
Protonation changes upon ligand binding to trypsin and thrombin: structural interpretation based on pK(a) calculations and ITC experiments
Paul Czodrowski, Christoph A Sotriffer, Gerhard Klebe
Journal of Chemical Information and Modeling
|
May 17, 2007
Atypical protonation states in the active site of HIV-1 protease: a computational study
Paul Czodrowski, Christoph A Sotriffer, Gerhard Klebe
Journal of Computer-Aided Molecular Design
|
November 15, 2011
Molecular dynamics of Mycobacterium tuberculosis KasA: implications for inhibitor and substrate binding and consequences for drug design
Benjamin Schaefer, Caroline Kisker, Christoph A Sotriffer
Journal of Medicinal Chemistry
|
May 3, 2002
Docking into knowledge-based potential fields: a comparative evaluation of DrugScore
Christoph A Sotriffer, Holger Gohlke, Gerhard Klebe
Page
of 6