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Numerical Analysis of Ca2+ Signaling in Rat Ventricular Myocytes with Realistic Transverse-Axial Tubular Geometry and Inhibited Sarcoplasmic Reticulum.

, , , , , , and . PLoS Computational Biology, (2010)

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Parallelization of a molecular dynamics non-bonded force algorithm for MIMD architecture., and . Computers & Chemistry, 14 (3): 219-224 (1990)Molecular dynamics of cryptophane and its complexes with tetramethylammonium and neopentane using a continuum solvent model., , , and . Journal of Computational Chemistry, 20 (9): 956-970 (1999)Extracting hydration sites around proteins from explicit water simulations., and . Journal of Computational Chemistry, 23 (9): 861-869 (2002)LS-VISM: A software package for analysis of biomolecular solvation., , , , , , and . Journal of Computational Chemistry, 36 (14): 1047-1059 (2015)Accelerated molecular dynamics simulations of protein folding., , , and . Journal of Computational Chemistry, 36 (20): 1536-1549 (2015)Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package., , , , , and . Journal of Computational Chemistry, 39 (19): 1354-1358 (2018)Using multistate free energy techniques to improve the efficiency of replica exchange accelerated molecular dynamics., , and . Journal of Computational Chemistry, 30 (11): 1719-1725 (2009)AutoClickChem: Click Chemistry in Silico., and . PLoS Computational Biology, (2012)Large-Scale Conformational Changes of Trypanosoma cruzi Proline Racemase Predicted by Accelerated Molecular Dynamics Simulation., , , and . PLoS Computational Biology, (2011)Advanced Calculations and Visualization of Enzymatic Reactions with the Combined Quantum Classical Molecular Dynamics Code., , , , , and . PARA, volume 1541 of Lecture Notes in Computer Science, page 20-27. Springer, (1998)