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Journal of Chemical Information and Modeling
|
May 24, 2019
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening
Jean-Paul Ebejer, Paul W Finn, Wing Ki Wong, et al.
Proteins
|
July 12, 2002
Model of the alphaLbeta2 integrin I-domain/ICAM-1 DI interface suggests that subtle changes in loop orientation determine ligand specificity
Glen B Legge, Garrett M Morris, Michel F Sanner, et al.
Communications Chemistry
|
February 8, 2025
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data
Ísak Valsson, Matthew T Warren, Charlotte M Deane, et al.
The Journal of Physical Chemistry. A
|
November 7, 2008
Assessing the role of polarization in docking
Christopher J R Illingworth, Garrett M Morris, Kevin E B Parkes, et al.
Molecules (Basel, Switzerland)
|
October 14, 2014
Exploration of piperidinols as potential antitubercular agents
Areej Abuhammad, Elizabeth Fullam, Sanjib Bhakta, et al.
Molecular Biosystems
|
June 21, 2007
Mechanistic and structural requirements for active site labeling of phosphoglycerate mutase by spiroepoxides
Michael J Evans, Garrett M Morris, Jane Wu, et al.
Journal of Chemical Information and Modeling
|
March 5, 2013
Automated docking with protein flexibility in the design of femtomolar "click chemistry" inhibitors of acetylcholinesterase
Garrett M Morris, Luke G Green, Zoran Radić, et al.
Journal of Computer-Aided Molecular Design
|
January 2, 2004
Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling
Robin J Rosenfeld, David S Goodsell, Rabi A Musah, et al.
Journal of Computational Chemistry
|
April 29, 2009
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
Garrett M Morris, Ruth Huey, William Lindstrom, et al.
Journal of Computer-Aided Molecular Design
|
July 9, 2010
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics
M Stuart Armstrong, Garrett M Morris, Paul W Finn, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 52) with videos related to
Sort By:
Page
of 6
Journal of Chemical Information and Modeling
|
May 24, 2019
Ligity: A Non-Superpositional, Knowledge-Based Approach to Virtual Screening
Jean-Paul Ebejer, Paul W Finn, Wing Ki Wong, et al.
Proteins
|
July 12, 2002
Model of the alphaLbeta2 integrin I-domain/ICAM-1 DI interface suggests that subtle changes in loop orientation determine ligand specificity
Glen B Legge, Garrett M Morris, Michel F Sanner, et al.
Communications Chemistry
|
February 8, 2025
Narrowing the gap between machine learning scoring functions and free energy perturbation using augmented data
Ísak Valsson, Matthew T Warren, Charlotte M Deane, et al.
The Journal of Physical Chemistry. A
|
November 7, 2008
Assessing the role of polarization in docking
Christopher J R Illingworth, Garrett M Morris, Kevin E B Parkes, et al.
Molecules (Basel, Switzerland)
|
October 14, 2014
Exploration of piperidinols as potential antitubercular agents
Areej Abuhammad, Elizabeth Fullam, Sanjib Bhakta, et al.
Molecular Biosystems
|
June 21, 2007
Mechanistic and structural requirements for active site labeling of phosphoglycerate mutase by spiroepoxides
Michael J Evans, Garrett M Morris, Jane Wu, et al.
Journal of Chemical Information and Modeling
|
March 5, 2013
Automated docking with protein flexibility in the design of femtomolar "click chemistry" inhibitors of acetylcholinesterase
Garrett M Morris, Luke G Green, Zoran Radić, et al.
Journal of Computer-Aided Molecular Design
|
January 2, 2004
Automated docking of ligands to an artificial active site: augmenting crystallographic analysis with computer modeling
Robin J Rosenfeld, David S Goodsell, Rabi A Musah, et al.
Journal of Computational Chemistry
|
April 29, 2009
AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
Garrett M Morris, Ruth Huey, William Lindstrom, et al.
Journal of Computer-Aided Molecular Design
|
July 9, 2010
ElectroShape: fast molecular similarity calculations incorporating shape, chirality and electrostatics
M Stuart Armstrong, Garrett M Morris, Paul W Finn, et al.
Page
of 6