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Organic & Biomolecular Chemistry
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November 10, 2004
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
Jérôme Hert, Peter Willett, David J Wilton, et al.
Journal of Medicinal Chemistry
|
October 28, 2005
Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information
Jérôme Hert, Peter Willett, David J Wilton, et al.
Current Topics in Medicinal Chemistry
|
August 17, 2005
Library design for fragment based screening
Ansgar Schuffenhauer, Simon Ruedisser, Andreas L Marzinzik, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
An ontology for pharmaceutical ligands and its application for in silico screening and library design
Ansgar Schuffenhauer, Jürg Zimmermann, Ruedi Stoop, et al.
Journal of Chemical Information and Modeling
|
January 18, 2022
Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery
Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, et al.
Molecular Informatics
|
November 9, 2017
Protocols for the Design of Kinase-focused Compound Libraries
Edgar Jacoby, Berthold Wroblowski, Christophe Buyck, et al.
Current Medicinal Chemistry
|
February 20, 2007
Molecular lipophilicity in protein modeling and drug design
Roman G Efremov, Anton O Chugunov, Timothy V Pyrkov, et al.
Chemmedchem
|
May 12, 2007
Modeling promiscuity based on in vitro safety pharmacology profiling data
Kamal Azzaoui, Jacques Hamon, Bernard Faller, et al.
Proteins
|
November 10, 2006
Complementarity of hydrophobic properties in ATP-protein binding: a new criterion to rank docking solutions
Timothy V Pyrkov, Yuri A Kosinsky, Alexander S Arseniev, et al.
Journal of Chemical Information and Modeling
|
May 11, 2007
Docking of ATP to Ca-ATPase: considering protein domain motions
Timothy V Pyrkov, Yuri A Kosinsky, Alexander S Arseniev, et al.
Page
of 7
Search research articles
Search
Showing results (21-30 of 63) with videos related to
Sort By:
Page
of 7
Organic & Biomolecular Chemistry
|
November 10, 2004
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
Jérôme Hert, Peter Willett, David J Wilton, et al.
Journal of Medicinal Chemistry
|
October 28, 2005
Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information
Jérôme Hert, Peter Willett, David J Wilton, et al.
Current Topics in Medicinal Chemistry
|
August 17, 2005
Library design for fragment based screening
Ansgar Schuffenhauer, Simon Ruedisser, Andreas L Marzinzik, et al.
Journal of Chemical Information and Computer Sciences
|
July 23, 2002
An ontology for pharmaceutical ligands and its application for in silico screening and library design
Ansgar Schuffenhauer, Jürg Zimmermann, Ruedi Stoop, et al.
Journal of Chemical Information and Modeling
|
January 18, 2022
Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery
Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, et al.
Molecular Informatics
|
November 9, 2017
Protocols for the Design of Kinase-focused Compound Libraries
Edgar Jacoby, Berthold Wroblowski, Christophe Buyck, et al.
Current Medicinal Chemistry
|
February 20, 2007
Molecular lipophilicity in protein modeling and drug design
Roman G Efremov, Anton O Chugunov, Timothy V Pyrkov, et al.
Chemmedchem
|
May 12, 2007
Modeling promiscuity based on in vitro safety pharmacology profiling data
Kamal Azzaoui, Jacques Hamon, Bernard Faller, et al.
Proteins
|
November 10, 2006
Complementarity of hydrophobic properties in ATP-protein binding: a new criterion to rank docking solutions
Timothy V Pyrkov, Yuri A Kosinsky, Alexander S Arseniev, et al.
Journal of Chemical Information and Modeling
|
May 11, 2007
Docking of ATP to Ca-ATPase: considering protein domain motions
Timothy V Pyrkov, Yuri A Kosinsky, Alexander S Arseniev, et al.
Page
of 7