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Journal of Chemical Information and Modeling|October 30, 2023
Cyclic Peptide Linker Design and Optimization by Molecular Dynamics SimulationsLei Yu, Stephanie A Barros, Chengzao Sun, et al.
IEEE Transactions on Nanobioscience|August 25, 2005
Cellular automata with object-oriented features for parallel molecular network modelingHao Zhu, Yinghui Wu, Sui Huang, et al.
Biomedical Engineering Online|September 2, 2004
Facilitating arrhythmia simulation: the method of quantitative cellular automata modeling and parallel runningHao Zhu, Yan Sun, Gunaretnam Rajagopal, et al.
BMC Bioinformatics|June 30, 2004
Asynchronous adaptive time step in quantitative cellular automata modelingHao Zhu, Peter Y H Pang, Yan Sun, et al.
The Journal of Physical Chemistry. B|April 28, 2015
Equilibrium molecular thermodynamics from Kirkwood samplingSandeep Somani, Yuko Okamoto, Andrew J Ballard, et al.
Current Computer-Aided Drug Design|May 24, 2011
Why so few drug targets: a mathematical explanation?Kyaw Tun, Marta Menghini, Lina D'Andrea, et al.
Physical Chemistry Chemical Physics : PCCP|November 12, 2013
A conformational factorisation approach for estimating the binding free energies of macromoleculesKenji Mochizuki, Chris S Whittleston, Sandeep Somani, et al.
BMC Bioinformatics|February 4, 2017
Novel group-based QSAR and combinatorial design of CK-1δ inhibitors as neuroprotective agentsKopal Joshi, Sukriti Goyal, Sonam Grover, et al.
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