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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 SmithJournal of the American Chemical Society|November 1, 2011
Simulation analysis of the temperature dependence of lignin structure and dynamicsLoukas Petridis, Roland Schulz, Jeremy C SmithJournal of Physics. Condensed Matter : an Institute of Physics Journal|January 17, 2017
The tilt-dependent potential of mean force of a pair of DNA oligomers from all-atom molecular dynamics simulationsRuggero Cortini, Xiaolin Cheng, Jeremy C SmithThe Journal of Physical Chemistry. B|February 26, 2014
Coarse-grain model for natural cellulose fibrils in explicit waterGoundla Srinivas, Xiaolin Cheng, Jeremy C SmithJournal 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 FischerPhysical Chemistry Chemical Physics : PCCP|December 1, 2006
Conformational heterogeneity and low-frequency vibrational modes of proteinsErika Balog, Jeremy C Smith, David PerahiaMolecules (Basel, Switzerland)|December 20, 2018
Quantum Mechanical/Molecular Mechanical Analysis of the Catalytic Mechanism of Phosphoserine PhosphataseDieter Krachtus, Jeremy C Smith, Petra ImhofStructure (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 FischerJournal 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 ReedJournal 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 DaidonePageof 35