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Journal of Chemical Theory and Computation|November 27, 2015
Evaluation of Electronic Coupling in Transition-Metal Systems Using DFT: Application to the Hexa-Aquo Ferric-Ferrous Redox CoupleAgostino Migliore, Patrick H-L Sit, Michael L KleinThe Journal of Physical Chemistry Letters|October 18, 2023
Understanding the Anomalous Diffusion of Water in Aqueous Electrolytes Using Machine Learned PotentialsNikhil V S Avula, Michael L Klein, Sundaram BalasubramanianJournal of the American Chemical Society|July 30, 2008
Phosphodiester cleavage in ribonuclease H occurs via an associative two-metal-aided catalytic mechanismMarco De Vivo, Matteo Dal Peraro, Michael L KleinThe Journal of Physical Chemistry. B|July 21, 2006
A recipe for the computation of the free energy barrier and the lowest free energy path of concerted reactionsBernd Ensing, Alessandro Laio, Michele Parrinello, et al.Retina (Philadelphia, Pa.)|June 15, 2007
Macular microholesGeoffrey G Emerson, Gregory R Spencer, Michael L KleinJournal of the American Chemical Society|January 9, 2003
Probing the configurational space of a metalloprotein core: an ab initio molecular dynamics study of Duo Ferro 1 binuclear Zn cofactorGaregin A Papoian, William F DeGrado, Michael L KleinProceedings of the National Academy of Sciences of the United States of America|December 14, 2016
On the role of water density fluctuations in the inhibition of a proton channelEleonora Gianti, Lucie Delemotte, Michael L Klein, et al.The Journal of Physical Chemistry. B|March 24, 2006
Relative pKa values from first-principles molecular dynamics: the case of histidine deprotonationIvaylo Ivanov, Bin Chen, Simone Raugei, et al.Retina (Philadelphia, Pa.)|January 6, 2006
Clinicopathologic correlation of stage 2 macular holeThomas S Hwang, David J Wilson, Michael L KleinProceedings of the National Academy of Sciences of the United States of America|November 15, 2012
Exploring conformational states of the bacterial voltage-gated sodium channel NavAb via molecular dynamics simulationsCristiano Amaral, Vincenzo Carnevale, Michael L Klein, et al.Pageof 43