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Journal of Chemical Information and Modeling
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April 10, 2013
An extensive and diverse set of molecular overlays for the validation of pharmacophore programs
Ilenia Giangreco, David A Cosgrove, Martin J Packer
Journal of Chemical Information and Modeling
|
March 31, 2018
ReFlex3D: Refined Flexible Alignment of Molecules Using Shape and Electrostatics
Thomas C Schmidt, David A Cosgrove, Jonas Boström
Chemmedchem
|
January 10, 2018
Bioisosteric Replacements Extracted from High-Quality Structures in the Protein Databank
Matthew P Seddon, David A Cosgrove, Valerie J Gillet
Journal of Computer-Aided Molecular Design
|
March 14, 2009
Design of compound libraries for fragment screening
Niklas Blomberg, David A Cosgrove, Peter W Kenny, et al.
Journal of Chemical Information and Modeling
|
November 8, 2014
Investigation of the use of spectral clustering for the analysis of molecular data
Sonny Gan, David A Cosgrove, Eleanor J Gardiner, et al.
Journal of Chemical Information and Modeling
|
February 21, 2007
Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs
Eleanor J Gardiner, Valerie J Gillet, Peter Willett, et al.
Journal of Chemical Information and Modeling
|
November 14, 2009
Multiobjective optimization of pharmacophore hypotheses: bias toward low-energy conformations
Eleanor J Gardiner, David A Cosgrove, Robin Taylor, et al.
Journal of Chemical Information and Modeling
|
November 22, 2018
Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework
Matthew P Seddon, David A Cosgrove, Martin J Packer, et al.
Journal of Chemical Information and Modeling
|
July 28, 2005
Lead hopping using SVM and 3D pharmacophore fingerprints
Jamal C Saeh, Paul D Lyne, Bryan K Takasaki, et al.
Journal of Chemical Information and Modeling
|
July 19, 2012
A system for encoding and searching Markush structures
David A Cosgrove, Keith M Green, Andrew G Leach, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 18) with videos related to
Sort By:
Page
of 2
Journal of Chemical Information and Modeling
|
April 10, 2013
An extensive and diverse set of molecular overlays for the validation of pharmacophore programs
Ilenia Giangreco, David A Cosgrove, Martin J Packer
Journal of Chemical Information and Modeling
|
March 31, 2018
ReFlex3D: Refined Flexible Alignment of Molecules Using Shape and Electrostatics
Thomas C Schmidt, David A Cosgrove, Jonas Boström
Chemmedchem
|
January 10, 2018
Bioisosteric Replacements Extracted from High-Quality Structures in the Protein Databank
Matthew P Seddon, David A Cosgrove, Valerie J Gillet
Journal of Computer-Aided Molecular Design
|
March 14, 2009
Design of compound libraries for fragment screening
Niklas Blomberg, David A Cosgrove, Peter W Kenny, et al.
Journal of Chemical Information and Modeling
|
November 8, 2014
Investigation of the use of spectral clustering for the analysis of molecular data
Sonny Gan, David A Cosgrove, Eleanor J Gardiner, et al.
Journal of Chemical Information and Modeling
|
February 21, 2007
Representing clusters using a maximum common edge substructure algorithm applied to reduced graphs and molecular graphs
Eleanor J Gardiner, Valerie J Gillet, Peter Willett, et al.
Journal of Chemical Information and Modeling
|
November 14, 2009
Multiobjective optimization of pharmacophore hypotheses: bias toward low-energy conformations
Eleanor J Gardiner, David A Cosgrove, Robin Taylor, et al.
Journal of Chemical Information and Modeling
|
November 22, 2018
Alignment-Free Molecular Shape Comparison Using Spectral Geometry: The Framework
Matthew P Seddon, David A Cosgrove, Martin J Packer, et al.
Journal of Chemical Information and Modeling
|
July 28, 2005
Lead hopping using SVM and 3D pharmacophore fingerprints
Jamal C Saeh, Paul D Lyne, Bryan K Takasaki, et al.
Journal of Chemical Information and Modeling
|
July 19, 2012
A system for encoding and searching Markush structures
David A Cosgrove, Keith M Green, Andrew G Leach, et al.
Page
of 2