Articoli con mandati relativi all'accesso pubblico - Jeremy C SmithUlteriori informazioni
Non disponibili pubblicamente: 26
Dual function of the hydration layer around an antifreeze protein revealed by atomistic molecular dynamics simulations
DR Nutt, JC Smith
Journal of the American Chemical Society 130 (39), 13066-13073, 2008
Mandati: Swiss National Science Foundation
Coarse‐grained force field for the nucleosome from self‐consistent multiscaling
K Voltz, J Trylska, V Tozzini, V Kurkal‐Siebert, J Langowski, J Smith
Journal of Computational chemistry 29 (9), 1429-1439, 2008
Mandati: US National Institutes of Health, German Research Foundation
Key role of active-site water molecules in bacteriorhodopsin proton-transfer reactions
AN Bondar, J Baudry, S Suhai, S Fischer, JC Smith
The Journal of Physical Chemistry B 112 (47), 14729-14741, 2008
Mandati: US National Institutes of Health
VinaMPI: Facilitating multiple receptor high‐throughput virtual docking on high‐performance computers
SR Ellingson, JC Smith, J Baudry
Journal of computational chemistry 34 (25), 2212-2221, 2013
Mandati: US National Institutes of Health
The principal motions involved in the coupling mechanism of the recovery stroke of the myosin motor
S Mesentean, S Koppole, JC Smith, S Fischer
Journal of Molecular Biology 367 (2), 591-602, 2007
Mandati: German Research Foundation
Simulations of the myosin II motor reveal a nucleotide-state sensing element that controls the recovery stroke
S Koppole, JC Smith, S Fischer
Journal of Molecular Biology 361 (3), 604-616, 2006
Mandati: German Research Foundation
Hydration control of the mechanical and dynamical properties of cellulose
L Petridis, HM O’Neill, M Johnsen, B Fan, R Schulz, E Mamontov, ...
Biomacromolecules 15 (11), 4152-4159, 2014
Mandati: US Department of Energy
Low-temperature protein dynamics: a simulation analysis of interprotein vibrations and the boson peak at 150 K
V Kurkal-Siebert, JC Smith
Journal of the American Chemical Society 128 (7), 2356-2364, 2006
Mandati: German Research Foundation
Suppression of the back proton-transfer from Asp85 to the retinal Schiff base in bacteriorhodopsin: a theoretical analysis of structural elements
AN Bondar, S Suhai, S Fischer, JC Smith, M Elstner
Journal of structural biology 157 (3), 454-469, 2007
Mandati: German Research Foundation
Catalytic mechanism of DNA backbone cleavage by the restriction enzyme EcoRV: a quantum mechanical/molecular mechanical analysis
P Imhof, S Fischer, JC Smith
Biochemistry 48 (38), 9061-9075, 2009
Mandati: German Research Foundation
Common folding mechanism of a β-hairpin peptide via non-native turn formation revealed by unbiased molecular dynamics simulations
L Thukral, JC Smith, I Daidone
Journal of the American Chemical Society 131 (50), 18147-18152, 2009
Mandati: German Research Foundation
Polypharmacology and supercomputer-based docking: opportunities and challenges
SR Ellingson, JC Smith, J Baudry
Molecular Simulation 40 (10-11), 848-854, 2014
Mandati: US National Institutes of Health
Hydration-Dependent Dynamical Transition in Protein: Protein Interactions at≈<? format?> 240 K
V Kurkal-Siebert, R Agarwal, JC Smith
Physical review letters 100 (13), 138102, 2008
Mandati: German Research Foundation
Modeling of the passive permeation of mercury and methylmercury complexes through a bacterial cytoplasmic membrane
J Zhou, MD Smith, CJ Cooper, X Cheng, JC Smith, JM Parks
Environmental Science & Technology 51 (18), 10595-10604, 2017
Mandati: US Department of Energy, US National Institutes of Health
Determination of cellulose crystallinity from powder diffraction diagrams
B Lindner, L Petridis, P Langan, JC Smith
Biopolymers 103 (2), 67-73, 2015
Mandati: US Department of Energy
Modeling mercury in proteins
JM Parks, JC Smith
Methods in enzymology 578, 103-122, 2016
Mandati: US Department of Energy
Mechanism by which untwisting of retinal leads to productive bacteriorhodopsin photocycle states
T Wolter, M Elstner, S Fischer, JC Smith, AN Bondar
The Journal of Physical Chemistry B 119 (6), 2229-2240, 2015
Mandati: US Department of Energy, German Research Foundation, European Commission
Water pathways in the bacteriorhodopsin proton pump
AN Bondar, S Fischer, JC Smith
The Journal Of Membrane Biology 239, 73-84, 2011
Mandati: US National Institutes of Health, German Research Foundation
Monitoring the folding kinetics of a β-hairpin by time-resolved IR spectroscopy in silico
I Daidone, L Thukral, JC Smith, A Amadei
The Journal of Physical Chemistry B 119 (14), 4849-4856, 2015
Mandati: US Department of Energy, Governo Italiano
Water Molecules in Short‐and Long‐Distance Proton Transfer Steps of Bacteriorhodopsin Proton Pumping
AN Bondar, JC Smith
Israel Journal of Chemistry 49 (2), 155-161, 2009
Mandati: US National Institutes of Health, German Research Foundation
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