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The Journal of Physical Chemistry. B|June 15, 2006
Nucleophilic attack on phosphate diesters: a density functional study of in-line reactivity in dianionic, monoanionic, and neutral systemsXabier Lopez, Annick Dejaegere, Fabrice Leclerc, et al.The Journal of Physical Chemistry. B|February 24, 2007
A lattice protein with an amyloidogenic latent state: stability and folding kineticsAndrey Yu Palyanov, Sergei V Krivov, Martin Karplus, et al.The Journal of Chemical Physics|July 16, 2008
Bayesian estimates of free energies from nonequilibrium work data in the presence of instrument noisePaul Maragakis, Felix Ritort, Carlos Bustamante, et al.Journal of Molecular Biology|August 27, 2005
Transition state contact orders correlate with protein folding ratesEmanuele Paci, Kresten Lindorff-Larsen, Christopher M Dobson, et al.Proteins|April 23, 2004
X-ray structural and simulation analysis of a protein mutant: the value of a combined approachCarla Mattos, Justin D Cohen, David F Green, et al.Journal of Computational Chemistry|March 13, 2003
Modeling zinc in biomolecules with the self consistent charge-density functional tight binding (SCC-DFTB) method: applications to structural and energetic analysisMarcus Elstner, Qiang Cui, Petra Munih, et al.Elife|July 13, 2018
Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box sizeKrystel El Hage, Florent Hédin, Prashant K Gupta, et al.The Journal of Biological Chemistry|November 6, 2009
Entrapment and structure of an extrahelical guanine attempting to enter the active site of a bacterial DNA glycosylase, MutMYan Qi, Marie C Spong, Kwangho Nam, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|June 15, 2012
Asymmetric synthesis of pochonin E and F, revision of their proposed structure, and their conversion to potent Hsp90 inhibitorsGanesan Karthikeyan, Claudio Zambaldo, Sofia Barluenga, et al.Elife|June 21, 2019
Response to comment on 'Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size'Krystel El Hage, Florent Hédin, Prashant K Gupta, et al.Pageof 17