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The Journal of Chemical Physics|July 10, 2020
Non-conventional force fields for applications in spectroscopy and chemical reaction dynamicsDebasish Koner, Seyedeh Maryam Salehi, Padmabati Mondal, et al.Journal of Chemical Theory and Computation|May 10, 2016
Impact of Quadrupolar Electrostatics on Atoms Adjacent to the Sigma-Hole in Condensed-Phase SimulationsKrystel El Hage, Tristan Bereau, Sofie Jakobsen, et al.The 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 KarplusPhysical Review Letters|April 12, 2006
Optimal estimates of free energies from multistate nonequilibrium work dataPaul Maragakis, Martin Spichty, Martin KarplusStructure (London, England : 1993)|April 20, 2010
Pi release from myosin: a simulation analysis of possible pathwaysMarco Cecchini, Yuri Alexeev, Martin KarplusProceedings of the National Academy of Sciences of the United States of America|December 3, 2014
Trapping the ATP binding state leads to a detailed understanding of the F1-ATPase mechanismKwangho Nam, Jingzhi Pu, Martin KarplusThe 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 KarplusPageof 41