about
Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelSRole of histone tails in structural stability of the nucleosomeMechanism of lignin inhibition of enzymatic biomass deconstructionL-Arabinose binding, isomerization, and epimerization by D-xylose isomerase: X-ray/neutron crystallographic and molecular simulation studyThe serotonin binding site of human and murine 5-HT2B receptors: molecular modeling and site-directed mutagenesisA closed-loop model of the respiratory system: focus on hypercapnia and active expirationMutant alcohol dehydrogenase leads to improved ethanol tolerance in Clostridium thermocellumGROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.Building a foundation for structure-based cellulosome design for cellulosic ethanol: Insight into cohesin-dockerin complexation from computer simulationFluctuations and correlations in crystalline protein dynamics: a simulation analysis of staphylococcal nucleaseCryosolvents useful for protein and enzyme studies below -100 degrees C.Is the first hydration shell of lysozyme of higher density than bulk water?Understanding the energetics of helical peptide orientation in membranes.High-density hydration layer of lysozymes: molecular dynamics decomposition of solution scattering data.Tri-peptide reference structures for the calculation of relative solvent accessible surface area in protein amino acid residues.Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory.Structure and dynamics of bacteriorhodopsin. Comparison of simulation and experiment.Structural mechanism of the recovery stroke in the myosin molecular motor.REACH coarse-grained normal mode analysis of protein dimer interaction dynamics.HackaMol: An Object-Oriented Modern Perl Library for Molecular Hacking on Multiple Scales.Quasielastic neutron scattering in biology: Theory and applications.Enzyme activity and dynamics: xylanase activity in the absence of fast anharmonic dynamics.The dynamic transition in proteins may have a simple explanation.Enzyme activity and flexibility at very low hydrationDynamics of immobilized and native Escherichia coli dihydrofolate reductase by quasielastic neutron scatteringProtein dynamics and stability: the distribution of atomic fluctuations in thermophilic and mesophilic dihydrofolate reductase derived using elastic incoherent neutron scattering.Temperature and timescale dependence of protein dynamics in methanol : water mixtures.Hydrogen-bond driven loop-closure kinetics in unfolded polypeptide chains.Hydrolysis of DFP and the nerve agent (S)-sarin by DFPase proceeds along two different reaction pathways: implications for engineering bioscavengers.Structure and dynamics of a compact state of a multidomain protein, the mercuric ion reductaseParadigm for industrial strain improvement identifies sodium acetate tolerance loci in Zymomonas mobilis and Saccharomyces cerevisiae.Optimal use of data in parallel tempering simulations for the construction of discrete-state Markov models of biomolecular dynamics.Structured pathway across the transition state for peptide folding revealed by molecular dynamics simulationsEnabling grand-canonical Monte Carlo: extending the flexibility of GROMACS through the GromPy python interface module.Dynamics of protein and its hydration water: neutron scattering studies on fully deuterated GFP.X-ray structure of a Hg2+ complex of mercuric reductase (MerA) and quantum mechanical/molecular mechanical study of Hg2+ transfer between the C-terminal and buried catalytic site cysteine pairs.Lateral organization, bilayer asymmetry, and inter-leaflet coupling of biological membranes.Dynamical fingerprints for probing individual relaxation processes in biomolecular dynamics with simulations and kinetic experimentsThe role of histone tails in the nucleosome: a computational study.VinaMPI: facilitating multiple receptor high-throughput virtual docking on high-performance computers.
P50
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P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
ricercatore
@it
հետազոտող
@hy
name
Jeremy C Smith
@ast
Jeremy C Smith
@en
Jeremy C Smith
@es
Jeremy C Smith
@nl
Jeremy C Smith
@sl
type
label
Jeremy C Smith
@ast
Jeremy C Smith
@en
Jeremy C Smith
@es
Jeremy C Smith
@nl
Jeremy C Smith
@sl
prefLabel
Jeremy C Smith
@ast
Jeremy C Smith
@en
Jeremy C Smith
@es
Jeremy C Smith
@nl
Jeremy C Smith
@sl
P108
P106
P108
P21
P214
3712154441736335460001
P31
P496
0000-0002-2978-3227
P734
P735
P7859
lccn-no2011030509