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Biomolecules
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April 30, 2021
A Comprehensive Review of Cholinesterase Modeling and Simulation
Danna De Boer, Nguyet Nguyen, Jia Mao, et al.
Journal of Chemical Information and Modeling
|
May 9, 2020
Overcoming the Heuristic Nature of <i>k</i>-Means Clustering: Identification and Characterization of Binding Modes from Simulations of Molecular Recognition Complexes
Parker Ladd Bremer, Danna De Boer, Walter Alvarado, et al.
Bioenergetics : Open Access
|
September 26, 2017
Ensemble Molecular Dynamics of a Protein-Ligand Complex: Residual Inhibitor Entropy Enhances Drug Potency in Butyrylcholinesterase
Eric J Sorin, Walter Alvarado, Samantha Cao, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 20, 2004
Simulations of the role of water in the protein-folding mechanism
Young Min Rhee, Eric J Sorin, Guha Jayachandran, et al.
Journal of Computational Chemistry
|
March 1, 2008
Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories
Luca Monticelli, Eric J Sorin, D Peter Tieleman, et al.
Nucleic Acids Research
|
March 13, 2010
Equilibrium conformational dynamics in an RNA tetraloop from massively parallel molecular dynamics
Allison J DePaul, Erik J Thompson, Sarav S Patel, et al.
Journal of Molecular Biology
|
March 23, 2004
Does native state topology determine the RNA folding mechanism?
Eric J Sorin, Bradley J Nakatani, Young Min Rhee, et al.
Biopolymers
|
September 15, 2022
Energetically unfavorable protein angles: Exploration of a conserved dihedral angle in triosephosphate isomerase
Patrick W Allen, Jordan A Cook, Anh N Colquhoun, et al.
Bioorganic & Medicinal Chemistry
|
April 19, 2017
Synthesis, biochemical evaluation, and molecular modeling studies of aryl and arylalkyl di-n-butyl phosphates, effective butyrylcholinesterase inhibitors
Kensaku Nakayama, Jason P Schwans, Eric J Sorin, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 9, 2005
Unusual compactness of a polyproline type II structure
Bojan Zagrovic, Jan Lipfert, Eric J Sorin, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 24) with videos related to
Sort By:
Page
of 3
Biomolecules
|
April 30, 2021
A Comprehensive Review of Cholinesterase Modeling and Simulation
Danna De Boer, Nguyet Nguyen, Jia Mao, et al.
Journal of Chemical Information and Modeling
|
May 9, 2020
Overcoming the Heuristic Nature of <i>k</i>-Means Clustering: Identification and Characterization of Binding Modes from Simulations of Molecular Recognition Complexes
Parker Ladd Bremer, Danna De Boer, Walter Alvarado, et al.
Bioenergetics : Open Access
|
September 26, 2017
Ensemble Molecular Dynamics of a Protein-Ligand Complex: Residual Inhibitor Entropy Enhances Drug Potency in Butyrylcholinesterase
Eric J Sorin, Walter Alvarado, Samantha Cao, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
April 20, 2004
Simulations of the role of water in the protein-folding mechanism
Young Min Rhee, Eric J Sorin, Guha Jayachandran, et al.
Journal of Computational Chemistry
|
March 1, 2008
Molecular simulation of multistate peptide dynamics: a comparison between microsecond timescale sampling and multiple shorter trajectories
Luca Monticelli, Eric J Sorin, D Peter Tieleman, et al.
Nucleic Acids Research
|
March 13, 2010
Equilibrium conformational dynamics in an RNA tetraloop from massively parallel molecular dynamics
Allison J DePaul, Erik J Thompson, Sarav S Patel, et al.
Journal of Molecular Biology
|
March 23, 2004
Does native state topology determine the RNA folding mechanism?
Eric J Sorin, Bradley J Nakatani, Young Min Rhee, et al.
Biopolymers
|
September 15, 2022
Energetically unfavorable protein angles: Exploration of a conserved dihedral angle in triosephosphate isomerase
Patrick W Allen, Jordan A Cook, Anh N Colquhoun, et al.
Bioorganic & Medicinal Chemistry
|
April 19, 2017
Synthesis, biochemical evaluation, and molecular modeling studies of aryl and arylalkyl di-n-butyl phosphates, effective butyrylcholinesterase inhibitors
Kensaku Nakayama, Jason P Schwans, Eric J Sorin, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
August 9, 2005
Unusual compactness of a polyproline type II structure
Bojan Zagrovic, Jan Lipfert, Eric J Sorin, et al.
Page
of 3