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Journal of Molecular Biology|June 3, 2008
Activation of the Escherichia coli marA/soxS/rob regulon in response to transcriptional activator concentrationRobert G Martin, Emily S Bartlett, Judah L Rosner, et al.The Journal of Chemical Physics|February 12, 2026
Shadow molecular dynamics for flexible multipole modelsRae A Corrigan Grove, Robert Stanton, Michael E Wall, et al.Journal of the American Chemical Society|March 6, 2019
Biomolecular Solvation Structure Revealed by Molecular Dynamics SimulationsMichael E Wall, Gaetano Calabró, Christopher I Bayly, et al.Physical Biology|August 12, 2011
Selected papers from the Fourth Annual q-bio Conference on Cellular Information ProcessingIlya Nemenman, James R Faeder, William S Hlavacek, et al.Journal of Chemical Theory and Computation|February 11, 2022
Enhancing Sampling of Water Rehydration on Ligand Binding: A Comparison of TechniquesYunhui Ge, David C Wych, Marley L Samways, et al.Annals of the New York Academy of Sciences|October 11, 2007
Reconstruction of metabolic networks from high-throughput metabolite profiling data: in silico analysis of red blood cell metabolismIlya Nemenman, G Sean Escola, William S Hlavacek, et al.Proceedings of the National Academy of Sciences of the United States of America|December 3, 2014
Conformational dynamics of a crystalline protein from microsecond-scale molecular dynamics simulations and diffuse X-ray scatteringMichael E Wall, Andrew H Van Benschoten, Nicholas K Sauter, et al.Journal of Chemical Theory and Computation|June 9, 2016
Recursive Factorization of the Inverse Overlap Matrix in Linear-Scaling Quantum Molecular Dynamics SimulationsChristian F A Negre, Susan M Mniszewski, Marc J Cawkwell, et al.Methods in Enzymology|September 25, 2023
Interpreting macromolecular diffraction through simulationIris D Young, Derek Mendez, Billy K Poon, et al.Proceedings of the National Academy of Sciences of the United States of America|April 2, 2016
Measuring and modeling diffuse scattering in protein X-ray crystallographyAndrew H Van Benschoten, Lin Liu, Ana Gonzalez, et al.Pageof 10