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NAR Genomics and Bioinformatics
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October 13, 2022
PDBspheres: a method for finding 3D similarities in local regions in proteins
Adam T Zemla, Jonathan E Allen, Dan Kirshner, et al.
Current Opinion in Structural Biology
|
October 10, 2021
Interpretable artificial intelligence and exascale molecular dynamics simulations to reveal kinetics: Applications to Alzheimer's disease
William Martin, Gloria Sheynkman, Felice C Lightstone, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 14, 2005
A first-principles molecular dynamics study of calcium in water
Felice C Lightstone, Eric Schwegler, Markus Allesch, et al.
Journal of Chemical Information and Modeling
|
April 28, 2020
Binding Affinity Prediction by Pairwise Function Based on Neural Network
Fangqiang Zhu, Xiaohua Zhang, Jonathan E Allen, et al.
Plos One
|
May 16, 2013
Rapid catalytic template searching as an enzyme function prediction procedure
Jerome P Nilmeier, Daniel A Kirshner, Sergio E Wong, et al.
Journal of Chemical Theory and Computation
|
February 12, 2020
Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model
Victor Ovchinnikov, Simone Conti, Edmond Y Lau, et al.
Journal of Chemical Theory and Computation
|
October 1, 2019
MemSurfer: A Tool for Robust Computation and Characterization of Curved Membranes
Harsh Bhatia, Helgi I Ingólfsson, Timothy S Carpenter, et al.
Journal of Chemical Theory and Computation
|
December 9, 2015
Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis
Jean-Luc Fattebert, Edmond Y Lau, Brian J Bennion, et al.
Plos One
|
September 6, 2014
Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines
Montiago X LaBute, Xiaohua Zhang, Jason Lenderman, et al.
Biophysical Journal
|
November 9, 2017
Computational Lipidomics of the Neuronal Plasma Membrane
Helgi I Ingólfsson, Timothy S Carpenter, Harsh Bhatia, et al.
Page
of 10
Search research articles
Search
Showing results (21-30 of 97) with videos related to
Sort By:
Page
of 10
NAR Genomics and Bioinformatics
|
October 13, 2022
PDBspheres: a method for finding 3D similarities in local regions in proteins
Adam T Zemla, Jonathan E Allen, Dan Kirshner, et al.
Current Opinion in Structural Biology
|
October 10, 2021
Interpretable artificial intelligence and exascale molecular dynamics simulations to reveal kinetics: Applications to Alzheimer's disease
William Martin, Gloria Sheynkman, Felice C Lightstone, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
July 14, 2005
A first-principles molecular dynamics study of calcium in water
Felice C Lightstone, Eric Schwegler, Markus Allesch, et al.
Journal of Chemical Information and Modeling
|
April 28, 2020
Binding Affinity Prediction by Pairwise Function Based on Neural Network
Fangqiang Zhu, Xiaohua Zhang, Jonathan E Allen, et al.
Plos One
|
May 16, 2013
Rapid catalytic template searching as an enzyme function prediction procedure
Jerome P Nilmeier, Daniel A Kirshner, Sergio E Wong, et al.
Journal of Chemical Theory and Computation
|
February 12, 2020
Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model
Victor Ovchinnikov, Simone Conti, Edmond Y Lau, et al.
Journal of Chemical Theory and Computation
|
October 1, 2019
MemSurfer: A Tool for Robust Computation and Characterization of Curved Membranes
Harsh Bhatia, Helgi I Ingólfsson, Timothy S Carpenter, et al.
Journal of Chemical Theory and Computation
|
December 9, 2015
Large-Scale First-Principles Molecular Dynamics Simulations with Electrostatic Embedding: Application to Acetylcholinesterase Catalysis
Jean-Luc Fattebert, Edmond Y Lau, Brian J Bennion, et al.
Plos One
|
September 6, 2014
Adverse drug reaction prediction using scores produced by large-scale drug-protein target docking on high-performance computing machines
Montiago X LaBute, Xiaohua Zhang, Jason Lenderman, et al.
Biophysical Journal
|
November 9, 2017
Computational Lipidomics of the Neuronal Plasma Membrane
Helgi I Ingólfsson, Timothy S Carpenter, Harsh Bhatia, et al.
Page
of 10