about
From residue coevolution to protein conformational ensembles and functional dynamics.Large-Scale Conformational Transitions and Dimerization Are Encoded in the Amino-Acid Sequences of Hsp70 ChaperonesThermodynamics of stacking interactions in proteins.Epigenomic Co-localization and Co-evolution Reveal a Key Role for 5hmC as a Communication Hub in the Chromatin Network of ESCs.Correction to "Free Energy Reconstruction in Bidirectional Force Spectroscopy Experiments: The Effect of the Device Stiffness".Energy-Driven Undocking (EDU-HREM) in Solute Tempering Replica Exchange Simulations.Generalization of the Jarzynski and Crooks nonequilibrium work theorems in molecular dynamics simulations.Numerical verification of the generalized Crooks nonequilibrium work theorem for non-Hamiltonian molecular dynamics simulations.Recovering the Crooks equation for dynamical systems in the isothermal-isobaric ensemble: a strategy based on the equations of motion.Crooks equation for steered molecular dynamics using a Nosé-Hoover thermostat.Insights into the conformational switching mechanism of the human vascular endothelial growth factor receptor type 2 kinase domain.New advances in metadynamicsSelf-healing umbrella sampling: a non-equilibrium approach for quantitative free energy calculationsCalculation of the potential of mean force from nonequilibrium measurements via maximum likelihood estimatorsFree energy reconstruction in bidirectional force spectroscopy experiments: the effect of the device stiffnessIntraligand hydrophobic interactions rationalize drug affinities for peptidyl-prolyl cis-trans isomerase proteinConformational structure of the MOG-derived peptide 101-108 in solutionORAC: a molecular dynamics simulation program to explore free energy surfaces in biomolecular systems at the atomistic levelFragment 101-108 of myelin oligodendrocyte glycoprotein: a possible lead compound for multiple sclerosis
P50
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P50
description
hulumtuese
@sq
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Simone Marsili
@ast
Simone Marsili
@en
Simone Marsili
@es
Simone Marsili
@nl
Simone Marsili
@sl
type
label
Simone Marsili
@ast
Simone Marsili
@en
Simone Marsili
@es
Simone Marsili
@nl
Simone Marsili
@sl
prefLabel
Simone Marsili
@ast
Simone Marsili
@en
Simone Marsili
@es
Simone Marsili
@nl
Simone Marsili
@sl
P1053
G-2811-2012
P106
P21
P31
P3829
P496
0000-0001-6284-6122