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Proteins|March 5, 2004
The role of carbon-donor hydrogen bonds in stabilizing tryptophan conformationsRobert J Petrella, Martin KarplusPhysical Chemistry Chemical Physics : PCCP|February 2, 2018
Modeling the adsorption equilibrium of small-molecule gases on graphene: effect of the volume to surface ratioSimone Conti, Marco CecchiniPhysical Chemistry Chemical Physics : PCCP|November 10, 2016
Predicting molecular self-assembly at surfaces: a statistical thermodynamics and modeling approachSimone Conti, Marco CecchiniThe Journal of Physical Chemistry. B|March 12, 2008
A differential fluctuation theoremPaul Maragakis, Martin Spichty, Martin KarplusMethods in Molecular Biology (Clifton, N.J.)|March 17, 2022
Molecular Simulation of Stapled PeptidesVictor Ovchinnikov, Aravinda Munasinghe, Martin KarplusPhysical Review. E|July 16, 2017
Coexisting origins of subdiffusion in internal dynamics of proteinsYasmine Meroz, Victor Ovchinnikov, Martin KarplusThe Journal of Physical Chemistry. B|May 3, 2016
A Simple and Accurate Method To Calculate Free Energy Profiles and Reaction Rates from Restrained Molecular Simulations of Diffusive ProcessesVictor Ovchinnikov, Kwangho Nam, Martin KarplusThe Journal of Chemical Physics|April 20, 2005
Simulation of conformational transitions by the restricted perturbation-targeted molecular dynamics methodArjan van der Vaart, Martin KarplusProteins|August 5, 2005
Study of the insulin dimerization: binding free energy calculations and per-residue free energy decompositionVincent Zoete, Markus Meuwly, Martin KarplusPhysical Review Letters|April 12, 2006
Optimal estimates of free energies from multistate nonequilibrium work dataPaul Maragakis, Martin Spichty, Martin KarplusPageof 17