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Journal of Computational Chemistry|April 10, 2002
Novel computer program for fast exact calculation of accessible and molecular surface areas and average surface curvatureOleg V Tsodikov, M Thomas Record, Yuri V SergeevJournal of Computational Chemistry|April 2, 2002
Combined ab initio/empirical approach for optimization of Lennard-Jones parameters for polar-neutral compoundsI Jen Chen, Daxu Yin, Alexander D MacKerellJournal of Computational Chemistry|April 2, 2002
Prediction of aqueous solubility of drugs and pesticides with COSMO-RSAndreas Klamt, Frank Eckert, Martin Hornig, et al.Journal of Computational Chemistry|April 2, 2002
Spectral density calculation by using the Chebyshev expansionTsutomu Ikegami, Suehiro IwataJournal of Computational Chemistry|March 23, 2002
Crystal structure predictions using five space groups with two independent molecules. The case of small organic acidsBouke P Van EijckJournal of Computational Chemistry|March 23, 2002
New method for parallel computation of Hessian matrix of conformational energy function in internal coordinatesShugo Nakamura, Daisuke Kyono, Mitsunori Ikeguchi, et al.Journal of Computational Chemistry|March 23, 2002
Monte Carlo sampling algorithm for searching a scale-transformed energy space of polypeptidesHideaki NakamuraJournal of Computational Chemistry|March 23, 2002
Restrained point-charge models for disaccharidesEmma Sigfridsson, Ulf Ryde, Bruce L BushJournal of Computational Chemistry|March 23, 2002
Dynamics of a protein and water molecules surrounding the protein: hydrogen-bonding between vibrating water molecules and a fluctuating proteinShuzo YoshiokiJournal of Computational Chemistry|December 21, 2005
Gaseous reaction mechanism of C2F radical with waterJian Wang, Yi-Hong Ding, Gong-Bing Wu, et al.Pageof 593