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Journal of Chemical Theory and Computation|November 21, 2015
Exploring Valleys without Climbing Every Peak: More Efficient and Forgiving Metabasin Metadynamics via Robust On-the-Fly Bias Domain RestrictionJames F Dama, Glen M Hocky, Rui Sun, et al.Biochemistry|November 3, 2024
Activation of the Influenza B M2 Proton Channel (BM2)Zhi Yue, Jiangbo Wu, Da Teng, et al.Biophysical Journal|January 10, 2024
Molecular dynamics simulations of HIV-1 matrix-membrane interactions at different stages of viral maturationPuja Banerjee, Kun Qu, John A G Briggs, et al.The Journal of Physical Chemistry. B|April 12, 2016
Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase IISrabani Taraphder, C Mark Maupin, Jessica M J Swanson, et al.Journal of Chemical Theory and Computation|November 28, 2015
Efficient, Regularized, and Scalable Algorithms for Multiscale Coarse-GrainingLanyuan Lu, Sergei Izvekov, Avisek Das, et al.Journal of Molecular Biology|July 28, 2010
Membrane docking geometry and target lipid stoichiometry of membrane-bound PKCα C2 domain: a combined molecular dynamics and experimental studyChun-Liang Lai, Kyle E Landgraf, Gregory A Voth, et al.Journal of Chemical Information and Modeling|July 17, 2020
MRP.py: A Parametrizer of Post-Translationally Modified ResiduesPatrick G Sahrmann, Patrick H Donnan, Kenneth M Merz, et al.The Journal of Chemical Physics|April 24, 2017
IR spectral assignments for the hydrated excess proton in liquid waterRajib Biswas, William Carpenter, Joseph A Fournier, et al.Plos Computational Biology|June 5, 2019
Multiscale model of integrin adhesion assemblyTamara C Bidone, Austin V Skeeters, Patrick W Oakes, et al.Proceedings of the National Academy of Sciences of the United States of America|July 22, 2009
Nucleotide-dependent conformational states of actinJim Pfaendtner, Davide Branduardi, Michele Parrinello, et al.Pageof 49