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Plos Computational Biology|September 21, 2011
Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulationsLipi Thukral, Isabella Daidone, Jeremy C Smith
Journal of the American Chemical Society|November 1, 2011
Simulation analysis of the temperature dependence of lignin structure and dynamicsLoukas Petridis, Roland Schulz, Jeremy C Smith
Journal of Molecular Biology|July 25, 2006
Simulations of the myosin II motor reveal a nucleotide-state sensing element that controls the recovery strokeSampath Koppole, Jeremy C Smith, Stefan Fischer
Physical Chemistry Chemical Physics : PCCP|December 1, 2006
Conformational heterogeneity and low-frequency vibrational modes of proteinsErika Balog, Jeremy C Smith, David Perahia
Molecules (Basel, Switzerland)|December 20, 2018
Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine PhosphataseDieter Krachtus, Jeremy C Smith, Petra Imhof
Structure (London, England : 1993)|July 20, 2007
The structural coupling between ATPase activation and recovery stroke in the myosin II motorSampath Koppole, Jeremy C Smith, Stefan Fischer
Journal of Medicinal Chemistry|February 22, 2002
Solution structure of a putative HIV1 immunogenic peptide: computer simulation of the principal CD4 binding domain of gp120Dan Mihailescu, Jeremy C Smith, Jennifer Reed
Journal of the American Chemical Society|November 19, 2009
Common folding mechanism of a beta-hairpin peptide via non-native turn formation revealed by unbiased molecular dynamics simulationsLipi Thukral, Jeremy C Smith, Isabella Daidone
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