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Journal of Chemical Information and Modeling|April 15, 2024
Intramolecular and Water Mediated Tautomerism of Solvated GlycinePengchao Zhang, Axel Tosello Gardini, Xuefei Xu, et al.The Journal of Chemical Physics|September 29, 2011
Exploring the free energy surfaces of clusters using reconnaissance metadynamicsGareth A Tribello, Jérôme Cuny, Hagai Eshet, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|September 17, 2004
Influence of DNA structure on the reactivity of the guanine radical cationFrancesco Luigi Gervasio, Alessandro Laio, Marcella Iannuzzi, et al.The Journal of Physical Chemistry. B|October 7, 2014
The role of quantum effects on structural and electronic fluctuations in neat and charged waterFederico Giberti, Ali A Hassanali, Michele Ceriotti, et al.Physical Review Letters|September 28, 2010
Displaced path integral formulation for the momentum distribution of quantum particlesLin Lin, Joseph A Morrone, Roberto Car, et al.Journal of Chemical Theory and Computation|December 4, 2015
General Protein Data Bank-Based Collective Variables for Protein FoldingAlbert Ardevol, Ferruccio Palazzesi, Gareth A Tribello, et al.The Journal of Physical Chemistry Letters|January 11, 2017
Variational Flooding Study of a SN2 ReactionGiovanniMaria Piccini, James J McCarty, Omar Valsson, et al.Journal of the American Chemical Society|August 31, 2006
Dissociation mechanism of acetic acid in waterJung Mee Park, Alessandro Laio, Marcella Iannuzzi, et al.The 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.Journal of the American Chemical Society|October 13, 2006
Free-energy landscape for beta hairpin folding from combined parallel tempering and metadynamicsGiovanni Bussi, Francesco Luigi Gervasio, Alessandro Laio, et al.Pageof 28