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Proceedings of the National Academy of Sciences of the United States of America|June 25, 2009
Single homopolypeptide chains collapse into mechanically rigid conformationsLorna Dougan, Jingyuan Li, Carmen L Badilla, et al.Proteins|March 13, 2010
Dewetting transitions in protein cavitiesTom Young, Lan Hua, Xuhui Huang, et al.The Journal of Physical Chemistry. B|April 19, 2007
Replica exchange with solute tempering: efficiency in large scale systemsXuhui Huang, Morten Hagen, Byungchan Kim, et al.Nano Letters|September 19, 2008
Scanning tunneling microscopy images of alkane derivatives on graphite: role of electronic effectsBoaz Ilan, Gina M Florio, Mark S Hybertsen, et al.Journal of the American Chemical Society|July 30, 2008
Role of water in mediating the assembly of Alzheimer amyloid-beta Abeta16-22 protofilamentsMary Griffin Krone, Lan Hua, Patricia Soto, et al.The Journal of Chemical Physics|February 25, 2012
Theory and simulations of quantum glass forming liquidsThomas E Markland, Joseph A Morrone, Kunimasa Miyazaki, et al.Journal of Chemical Theory and Computation|May 5, 2016
Prediction of Protein-Ligand Binding Poses via a Combination of Induced Fit Docking and Metadynamics SimulationsAnthony J Clark, Pratyush Tiwary, Ken Borrelli, et al.Journal of Computational Chemistry|October 24, 2002
Development of a polarizable force field for proteins via ab initio quantum chemistry: first generation model and gas phase testsGeorge A Kaminski, Harry A Stern, B J Berne, et al.Nature|November 2, 2007
Probing the chemistry of thioredoxin catalysis with forceArun P Wiita, Raul Perez-Jimenez, Kirstin A Walther, et al.Pageof 7