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Chemmedchem
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April 11, 2009
Recent advances in the study of the bioactive conformation of taxol
Liang Sun, Carlos Simmerling, Iwao Ojima
Journal of the American Chemical Society
|
October 13, 2006
The open structure of a multi-drug-resistant HIV-1 protease is stabilized by crystal packing contacts
Melinda Layten, Viktor Hornak, Carlos Simmerling
Journal of Chemical Information and Modeling
|
February 9, 2023
SpikeScape: A Tool for Analyzing Structural Diversity in Experimental Structures of the SARS-CoV-2 Spike Glycoprotein
Darya Stepanenko, Stephanie Budhan, Carlos Simmerling
Journal of Computer-Aided Molecular Design
|
September 27, 2019
Blinded prediction of protein-ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4
Junjie Zou, Chuan Tian, Carlos Simmerling
Viruses
|
July 27, 2024
Assessing pH-Dependent Conformational Changes in the Fusion Peptide Proximal Region of the SARS-CoV-2 Spike Glycoprotein
Darya Stepanenko, Yuzhang Wang, Carlos Simmerling
Journal of Chemical Theory and Computation
|
December 2, 2015
Evaluation of Salt Bridge Structure and Energetics in Peptides Using Explicit, Implicit, and Hybrid Solvation Models
Asim Okur, Lauren Wickstrom, Carlos Simmerling
Journal of the American Chemical Society
|
May 16, 2008
Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments
Fangyu Ding, Melinda Layten, Carlos Simmerling
Journal of the American Chemical Society
|
September 19, 2002
All-atom structure prediction and folding simulations of a stable protein
Carlos Simmerling, Bentley Strockbine, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
February 16, 2007
Coupling of replica exchange simulations to a non-Boltzmann structure reservoir
Adrian E Roitberg, Asim Okur, Carlos Simmerling
The Journal of Physical Chemistry. B
|
November 9, 2019
Dissecting the Energetics of Intrinsically Disordered Proteins via a Hybrid Experimental and Computational Approach
Junjie Zou, Carlos Simmerling, Daniel P Raleigh
Page
of 11
Search research articles
Search
Showing results (11-20 of 107) with videos related to
Sort By:
Page
of 11
Chemmedchem
|
April 11, 2009
Recent advances in the study of the bioactive conformation of taxol
Liang Sun, Carlos Simmerling, Iwao Ojima
Journal of the American Chemical Society
|
October 13, 2006
The open structure of a multi-drug-resistant HIV-1 protease is stabilized by crystal packing contacts
Melinda Layten, Viktor Hornak, Carlos Simmerling
Journal of Chemical Information and Modeling
|
February 9, 2023
SpikeScape: A Tool for Analyzing Structural Diversity in Experimental Structures of the SARS-CoV-2 Spike Glycoprotein
Darya Stepanenko, Stephanie Budhan, Carlos Simmerling
Journal of Computer-Aided Molecular Design
|
September 27, 2019
Blinded prediction of protein-ligand binding affinity using Amber thermodynamic integration for the 2018 D3R grand challenge 4
Junjie Zou, Chuan Tian, Carlos Simmerling
Viruses
|
July 27, 2024
Assessing pH-Dependent Conformational Changes in the Fusion Peptide Proximal Region of the SARS-CoV-2 Spike Glycoprotein
Darya Stepanenko, Yuzhang Wang, Carlos Simmerling
Journal of Chemical Theory and Computation
|
December 2, 2015
Evaluation of Salt Bridge Structure and Energetics in Peptides Using Explicit, Implicit, and Hybrid Solvation Models
Asim Okur, Lauren Wickstrom, Carlos Simmerling
Journal of the American Chemical Society
|
May 16, 2008
Solution structure of HIV-1 protease flaps probed by comparison of molecular dynamics simulation ensembles and EPR experiments
Fangyu Ding, Melinda Layten, Carlos Simmerling
Journal of the American Chemical Society
|
September 19, 2002
All-atom structure prediction and folding simulations of a stable protein
Carlos Simmerling, Bentley Strockbine, Adrian E Roitberg
The Journal of Physical Chemistry. B
|
February 16, 2007
Coupling of replica exchange simulations to a non-Boltzmann structure reservoir
Adrian E Roitberg, Asim Okur, Carlos Simmerling
The Journal of Physical Chemistry. B
|
November 9, 2019
Dissecting the Energetics of Intrinsically Disordered Proteins via a Hybrid Experimental and Computational Approach
Junjie Zou, Carlos Simmerling, Daniel P Raleigh
Page
of 11