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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.Journal of the American Chemical Society|October 18, 2012
Proton delivery and removal in [Ni(P(R)2N(R')2)2]2+ hydrogen production and oxidation catalystsMolly O'Hagan, Ming-Hsun Ho, Jenny Y Yang, et al.Biochemistry|May 18, 2016
Single-Amino Acid Modifications Reveal Additional Controls on the Proton Pathway of [FeFe]-HydrogenaseAdam J Cornish, Bojana Ginovska, Adam Thelen, et al.Current Pharmaceutical Design|September 5, 2013
HIV-1 integrase binding to its cellular partners: a perspective from computational biologyVo Cam Quy, Vincenzo Carnevale, Lara Manganaro, et al.Journal of the American Chemical Society|May 2, 2019
Mechanism of Catalytic O2 Reduction by Iron TetraphenylporphyrinMichael L Pegis, Daniel J Martin, Catherine F Wise, 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.Pageof 45