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GneimoSim: A modular internal coordinates molecular dynamics simulation package.

A. Larsen, J. Wagner, S. Kandel, R. Salomón-Ferrer, N. Vaidehi, and A. Jain. Journal of Computational Chemistry, 35 (31): 2245-2255 (2014)

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Importance of Receptor Flexibility in Binding of Cyclam Compounds to the Chemokine Receptor CXCR4.A. Lam, S. Bhattacharya, K. Patel, S. Hall, A. Mao, and N. Vaidehi. Journal of Chemical Information and Modeling, 51 (1): 139-147 (2011)Computational Method To Identify Druggable Binding Sites That Target Protein-Protein Interactions.H. Li, V. Kasam, C. Tautermann, D. Seeliger, and N. Vaidehi. Journal of Chemical Information and Modeling, 54 (5): 1391-1400 (2014)GneimoSim: A modular internal coordinates molecular dynamics simulation package.A. Larsen, J. Wagner, S. Kandel, R. Salomón-Ferrer, N. Vaidehi, and A. Jain. Journal of Computational Chemistry, 35 (31): 2245-2255 (2014)The MPSim-Dock hierarchical docking algorithm: Application to the eight trypsin inhibitor cocrystals.A. Cho, J. Wendel, N. Vaidehi, P. Kekenes-Huskey, W. Floriano, P. Maiti, and W. III. Journal of Computational Chemistry, 26 (1): 48-71 (2005)Molecular dynamics for very large systems on massively parallel computers: The MPSim program.K. Lim, S. Brunett, M. Iotov, R. McClurg, N. Vaidehi, S. Dasgupta, S. Taylor, and W. III. Journal of Computational Chemistry, 18 (4): 501-521 (1997)Allosteric antagonist binding sites in class B GPCRs: corticotropin receptor 1.S. Bhattacharya, G. Subramanian, S. Hall, J. Lin, A. Laoui, and N. Vaidehi. Journal of Computer-Aided Molecular Design, 24 (8): 659-674 (2010)Advanced techniques for constrained internal coordinate molecular dynamics.J. Wagner, G. Balaraman, M. Niesen, A. Larsen, A. Jain, and N. Vaidehi. Journal of Computational Chemistry, 34 (11): 904-914 (2013)Protein Structure Refinement of CASP Target Proteins Using GNEIMO Torsional Dynamics Method.A. Larsen, J. Wagner, A. Jain, and N. Vaidehi. Journal of Chemical Information and Modeling, 54 (2): 508-517 (2014)

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GneimoSim: A modular internal coordinates molecular dynamics simulation package.

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Disambiguation of "Vaidehi, Nagarajan"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML GneimoSim: A modular internal coordinates molecular dynamics simulation package.

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GneimoSim: A modular internal coordinates molecular dynamics simulation package.