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RNA (New York, N.Y.)|March 26, 2015
Structural fidelity and NMR relaxation analysis in a prototype RNA hairpinGeorge M Giambaşu, Darrin M York, David A CaseThe Journal of Physical Chemistry. B|April 21, 2009
Dynamics of the streptavidin-biotin complex in solution and in its crystal lattice: distinct behavior revealed by molecular simulationsDavid S Cerutti, Isolde Le Trong, Ronald E Stenkamp, et al.Biochemistry|October 28, 2008
Simulations of a protein crystal: explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complexDavid S Cerutti, Isolde Le Trong, Ronald E Stenkamp, et al.Journal of Chemical Theory and Computation|February 23, 2010
Staggered Mesh Ewald: An extension of the Smooth Particle-Mesh Ewald method adding great versatilityDavid S Cerutti, Robert E Duke, Thomas A Darden, et al.Physical Chemistry Chemical Physics : PCCP|April 20, 2021
Histidine protonation controls structural heterogeneity in the cyanobacteriochrome AnPixJg2Aditya G Rao, Christian Wiebeler, Saumik Sen, et al.Journal of Chemical Theory and Computation|January 31, 2009
Vulnerability in Popular Molecular Dynamics Packages Concerning Langevin and Andersen DynamicsDavid S Cerutti, Robert Duke, Lydia Freddolino, et al.Journal of Chemical Theory and Computation|July 18, 2019
Fast Implementation of the Nudged Elastic Band Method in AMBERDelaram Ghoreishi, David S Cerutti, Zachary Fallon, et al.Scientific Reports|November 11, 2018
Cryptic binding sites become accessible through surface reconstruction of the type I collagen fibrilJie Zhu, Cody L Hoop, David A Case, et al.Journal of the American Chemical Society|February 13, 2003
Density functional and reduction potential calculations of Fe4S4 clustersRhonda A Torres, Timothy Lovell, Louis Noodleman, et al.Protein Science : a Publication of the Protein Society|May 28, 2015
Molecular dynamics simulation of triclinic lysozyme in a crystal latticePawel A Janowski, Chunmei Liu, Jason Deckman, et al.Pageof 21