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The Journal of Chemical Physics|July 23, 2004
Single-ensemble nonequilibrium path-sampling estimates of free energy differencesF Marty Ytreberg, Daniel M ZuckermanPhysical Review Letters|October 26, 2002
Theory of a systematic computational error in free energy differencesDaniel M Zuckerman, Thomas B WoolfThe Journal of Chemical Physics|March 18, 2006
Simple estimation of absolute free energies for biomoleculesF Marty Ytreberg, Daniel M ZuckermanProceedings of the National Academy of Sciences of the United States of America|June 12, 2008
A black-box re-weighting analysis can correct flawed simulation dataF Marty Ytreberg, Daniel M ZuckermanJournal of Chemical Theory and Computation|January 12, 2011
Automated sampling assessment for molecular simulations using the effective sample sizeXin Zhang, Divesh Bhatt, Daniel M ZuckermanThe Journal of Chemical Physics|November 4, 2017
Links between the charge model and bonded parameter force constants in biomolecular force fieldsDavid S Cerutti, Karl T Debiec, David A Case, et al.The Journal of Physical Chemistry. B|July 29, 2021
The Next Frontier for Designing Switchable Proteins: Rational Enhancement of KineticsAnthony T Bogetti, Maria F Presti, Stewart N Loh, et al.Journal of Molecular Graphics & Modelling|January 27, 2009
Comparison of computational approaches for predicting the effects of missense mutations on p53 functionLillian T Chong, Jed W Pitera, William C Swope, et al.Journal of Molecular Biology|December 14, 2004
Dimerization of the p53 oligomerization domain: identification of a folding nucleus by molecular dynamics simulationsLillian T Chong, Christopher D Snow, Young Min Rhee, et al.Journal of Molecular Biology|February 7, 2006
Kinetic computational alanine scanning: application to p53 oligomerizationLillian T Chong, William C Swope, Jed W Pitera, et al.Pageof 15