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Journal of the American Chemical Society|February 20, 2007
Role of zinc content on the catalytic efficiency of B1 metallo beta-lactamasesMatteo Dal Peraro, Alejandro J Vila, Paolo Carloni, et al.The Journal of Chemical Physics|December 16, 2014
Dehydration of multilamellar fatty acid membranes: towards a computational model of the stratum corneumChristopher M MacDermaid, Russell H DeVane, Michael L Klein, et al.The Journal of Chemical Physics|July 1, 2019
A coarse-grain model for entangled polyethylene melts and polyethylene crystallizationKyle Wm Hall, Timothy W Sirk, Michael L Klein, et al.The Journal of Physical Chemistry. B|November 21, 2009
An atomistic model for simulations of the general anesthetic isofluraneJérôme Hénin, Grace Brannigan, William P Dailey, et al.Journal of Chemical Theory and Computation|November 27, 2015
Unraveling the Catalytic Pathway of Metalloenzyme Farnesyltransferase through QM/MM ComputationMing-Hsun Ho, Marco De Vivo, Matteo Dal Peraro, et al.Biophysical Journal|November 28, 2020
From examining the relationship between (corona)viral adhesins and galectins to glyco-perspectivesMichael L Klein, Antonio Romero, Herbert Kaltner, et al.The Journal of General Physiology|January 28, 2015
Gating pore currents are defects in common with two Nav1.5 mutations in patients with mixed arrhythmias and dilated cardiomyopathyAdrien Moreau, Pascal Gosselin-Badaroudine, Lucie Delemotte, et al.Journal of the American Chemical Society|August 25, 2010
Understanding the effect of magnesium ion concentration on the catalytic activity of ribonuclease H through computation: does a third metal binding site modulate endonuclease catalysis?Ming-Hsun Ho, Marco De Vivo, Matteo Dal Peraro, et al.Journal of the American Chemical Society|August 5, 2004
A minimum free energy reaction path for the E2 reaction between fluoro ethane and a fluoride ionBernd Ensing, Alessandro Laio, Francesco L Gervasio, et al.Accounts of Chemical Research|February 24, 2006
Metadynamics as a tool for exploring free energy landscapes of chemical reactionsBernd Ensing, Marco De Vivo, Zhiwei Liu, et al.Pageof 43