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BMC Bioinformatics
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September 26, 2008
FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects
David Lagorce, Olivier Sperandio, Hervé Galons, et al.
Journal of Medicinal Chemistry
|
September 16, 2005
Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex
Maria A Miteva, Wen H Lee, Matthieu O Montes, et al.
Scientific Reports
|
July 25, 2019
Comparative structural and evolutionary analyses predict functional sites in the artemisinin resistance malaria protein K13
Romain Coppée, Daniel C Jeffares, Maria A Miteva, et al.
BMC Bioinformatics
|
October 18, 2008
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
Tania Pencheva, David Lagorce, Ilza Pajeva, et al.
Journal of Chemical Information and Modeling
|
September 30, 2025
Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations
Daniel Toth, Balint Dudas, Arnaud B Nicot, et al.
Drug Discovery Today
|
July 9, 2013
One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade
Bruno O Villoutreix, David Lagorce, Céline M Labbé, et al.
Plos One
|
October 24, 2014
Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach
Zhe Zhang, Virginie Martiny, David Lagorce, et al.
Journal of Chemical Theory and Computation
|
May 7, 2026
Comparing Empirical and Physics-Based Models of Intermolecular Dispersion and Repulsion Energies
Mambatta Haritha, Benoît Guillot, Eva Mocchetti, et al.
Drug Discovery Today
|
August 6, 2010
Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery
Stéphanie Pérot, Olivier Sperandio, Maria A Miteva, et al.
Nucleic Acids Research
|
April 18, 2015
FAF-Drugs3: a web server for compound property calculation and chemical library design
David Lagorce, Olivier Sperandio, Jonathan B Baell, et al.
Page
of 9
Search research articles
Search
Showing results (31-40 of 88) with videos related to
Sort By:
Page
of 9
BMC Bioinformatics
|
September 26, 2008
FAF-Drugs2: free ADME/tox filtering tool to assist drug discovery and chemical biology projects
David Lagorce, Olivier Sperandio, Hervé Galons, et al.
Journal of Medicinal Chemistry
|
September 16, 2005
Fast structure-based virtual ligand screening combining FRED, DOCK, and Surflex
Maria A Miteva, Wen H Lee, Matthieu O Montes, et al.
Scientific Reports
|
July 25, 2019
Comparative structural and evolutionary analyses predict functional sites in the artemisinin resistance malaria protein K13
Romain Coppée, Daniel C Jeffares, Maria A Miteva, et al.
BMC Bioinformatics
|
October 18, 2008
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
Tania Pencheva, David Lagorce, Ilza Pajeva, et al.
Journal of Chemical Information and Modeling
|
September 30, 2025
Allosteric Mechanisms Triggering Substrate and Cofactor Binding in the SULT1A1 Dimer as Revealed by Molecular Dynamics Simulations
Daniel Toth, Balint Dudas, Arnaud B Nicot, et al.
Drug Discovery Today
|
July 9, 2013
One hundred thousand mouse clicks down the road: selected online resources supporting drug discovery collected over a decade
Bruno O Villoutreix, David Lagorce, Céline M Labbé, et al.
Plos One
|
October 24, 2014
Rational design of small-molecule stabilizers of spermine synthase dimer by virtual screening and free energy-based approach
Zhe Zhang, Virginie Martiny, David Lagorce, et al.
Journal of Chemical Theory and Computation
|
May 7, 2026
Comparing Empirical and Physics-Based Models of Intermolecular Dispersion and Repulsion Energies
Mambatta Haritha, Benoît Guillot, Eva Mocchetti, et al.
Drug Discovery Today
|
August 6, 2010
Druggable pockets and binding site centric chemical space: a paradigm shift in drug discovery
Stéphanie Pérot, Olivier Sperandio, Maria A Miteva, et al.
Nucleic Acids Research
|
April 18, 2015
FAF-Drugs3: a web server for compound property calculation and chemical library design
David Lagorce, Olivier Sperandio, Jonathan B Baell, et al.
Page
of 9