Search research articles
Contact Us
Filters
Showing results (11-20 of 21) with videos related to
Page
of 3
Sort By:
Journal of Computational Chemistry
|
November 2, 2011
MATCH: an atom-typing toolset for molecular mechanics force fields
Joseph D Yesselman, Daniel J Price, Jennifer L Knight, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
May 20, 2011
On the mechanism of crystalline polymorph selection by polymer heteronuclei
Vilmalí López-Mejías, Jennifer L Knight, Charles L Brooks, et al.
Biophysical Journal
|
November 16, 2004
Distance-restrained docking of rifampicin and rifamycin SV to RNA polymerase using systematic FRET measurements: developing benchmarks of model quality and reliability
Jennifer L Knight, Vladimir Mekler, Jayanta Mukhopadhyay, et al.
Acta Crystallographica. Section D, Biological Crystallography
|
April 9, 2008
Exploring structural variability in X-ray crystallographic models using protein local optimization by torsion-angle sampling
Jennifer L Knight, Zhiyong Zhou, Emilio Gallicchio, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
Lingle Wang, Yuqing Deng, Jennifer L Knight, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods
Jennifer L Knight, Goran Krilov, Kenneth W Borrelli, et al.
Journal of Chemical Information and Modeling
|
October 3, 2024
AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors
Pieter H Bos, Fabio Ranalli, Emelie Flood, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder, Wolfgang Damm, Jon Maple, et al.
ACS Chemical Biology
|
December 23, 2006
HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site
Daniel M Himmel, Stefan G Sarafianos, Sanjeewa Dharmasena, et al.
Bioorganic & Medicinal Chemistry
|
March 22, 2024
Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity
Daniel W Carney, Abba E Leffler, Jeffrey A Bell, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 21) with videos related to
Sort By:
Page
of 3
Journal of Computational Chemistry
|
November 2, 2011
MATCH: an atom-typing toolset for molecular mechanics force fields
Joseph D Yesselman, Daniel J Price, Jennifer L Knight, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
May 20, 2011
On the mechanism of crystalline polymorph selection by polymer heteronuclei
Vilmalí López-Mejías, Jennifer L Knight, Charles L Brooks, et al.
Biophysical Journal
|
November 16, 2004
Distance-restrained docking of rifampicin and rifamycin SV to RNA polymerase using systematic FRET measurements: developing benchmarks of model quality and reliability
Jennifer L Knight, Vladimir Mekler, Jayanta Mukhopadhyay, et al.
Acta Crystallographica. Section D, Biological Crystallography
|
April 9, 2008
Exploring structural variability in X-ray crystallographic models using protein local optimization by torsion-angle sampling
Jennifer L Knight, Zhiyong Zhou, Emilio Gallicchio, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Modeling Local Structural Rearrangements Using FEP/REST: Application to Relative Binding Affinity Predictions of CDK2 Inhibitors
Lingle Wang, Yuqing Deng, Jennifer L Knight, et al.
Journal of Chemical Theory and Computation
|
November 21, 2015
Leveraging Data Fusion Strategies in Multireceptor Lead Optimization MM/GBSA End-Point Methods
Jennifer L Knight, Goran Krilov, Kenneth W Borrelli, et al.
Journal of Chemical Information and Modeling
|
October 3, 2024
AutoDesigner - Core Design, a De Novo Design Algorithm for Chemical Scaffolds: Application to the Design and Synthesis of Novel Selective Wee1 Inhibitors
Pieter H Bos, Fabio Ranalli, Emelie Flood, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Edward Harder, Wolfgang Damm, Jon Maple, et al.
ACS Chemical Biology
|
December 23, 2006
HIV-1 reverse transcriptase structure with RNase H inhibitor dihydroxy benzoyl naphthyl hydrazone bound at a novel site
Daniel M Himmel, Stefan G Sarafianos, Sanjeewa Dharmasena, et al.
Bioorganic & Medicinal Chemistry
|
March 22, 2024
Exploiting high-energy hydration sites for the discovery of potent peptide aldehyde inhibitors of the SARS-CoV-2 main protease with cellular antiviral activity
Daniel W Carney, Abba E Leffler, Jeffrey A Bell, et al.
Page
of 3