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Journal of the American Chemical Society|September 22, 2020
Insight into the Catalytic Mechanism of GH11 Xylanase: Computational Analysis of Substrate Distortion Based on a Neutron StructureToyokazu Ishida, Jerry M Parks, Jeremy C Smith
Journal of Chemical Theory and Computation|March 17, 2020
Capturing Deuteration Effects in a Molecular Mechanics Force Field: Deuterated THF and the THF-Water Miscibility GapRupesh Agarwal, Micholas Dean Smith, Jeremy C Smith
Chemistry and Physics of Lipids|August 2, 2015
Lateral organization, bilayer asymmetry, and inter-leaflet coupling of biological membranesJonathan D Nickels, Jeremy C Smith, Xiaolin Cheng
Plos One|July 25, 2017
Community detection in sequence similarity networks based on attribute clusteringJanamejaya Chowdhary, Frank E Löffler, Jeremy C Smith
Protein Science : a Publication of the Protein Society|April 23, 2009
Building a foundation for structure-based cellulosome design for cellulosic ethanol: Insight into cohesin-dockerin complexation from computer simulationJiancong Xu, Michael F Crowley, Jeremy C Smith
Biochimica Et Biophysica Acta|July 22, 2008
Partitioning of amino-acid analogues in a five-slab membrane modelDurba Sengupta, Jeremy C Smith, G Matthias Ullmann
Journal of Computational Chemistry|July 20, 2005
A molecular mechanics force field for biologically important sterolsZoe Cournia, Jeremy C Smith, G Matthias Ullmann
The Journal of Physical Chemistry. B|January 31, 2007
Differential effects of cholesterol, ergosterol and lanosterol on a dipalmitoyl phosphatidylcholine membrane: a molecular dynamics simulation studyZoe Cournia, G Matthias Ullmann, Jeremy C Smith
Communications Biology|February 24, 2021
Full structural ensembles of intrinsically disordered proteins from unbiased molecular dynamics simulationsUtsab R Shrestha, Jeremy C Smith, Loukas Petridis
Physical Review Letters|June 4, 2008
Hydration-dependent dynamical transition in protein: protein interactions at approximately 240 KVandana Kurkal-Siebert, Ritesh Agarwal, Jeremy C Smith
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