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Journal of Computational Chemistry|October 15, 2011
Empirical formulation and parameterization of cation-π interactions for protein modelingQi-Shi Du, Si-Yu Long, Jian-Zong Meng, et al.Journal of Computational Chemistry|August 9, 2011
Geometric measures of large biomolecules: surface, volume, and pocketsPaul Mach, Patrice KoehlJournal of Computational Chemistry|August 9, 2011
Bond indices in solids: extended analytical modelRobert PonecJournal of Computational Chemistry|September 21, 2011
Denaturation of Drew-Dickerson DNA in a high salt concentration medium: molecular dynamics simulationsC Izanloo, G A Parsafar, H Abroshan, et al.Journal of Computational Chemistry|March 8, 2012
A semiempirical approach to ligand-binding affinities: dependence on the Hamiltonian and correctionsPaulius Mikulskis, Samuel Genheden, Karin Wichmann, et al.Journal of Computational Chemistry|March 8, 2012
Beta-decomposition for the volume and area of the union of three-dimensional balls and their offsetsDeok-Soo Kim, Joonghyun Ryu, Hayong Shin, et al.Journal of Computational Chemistry|February 15, 2012
Stochastic model for photoinduced anisotropyValentina Cantatore, Giovanni Granucci, Maurizio PersicoJournal of Computational Chemistry|February 4, 2012
Core-shell potential-derived point chargesJeffrey S Tan, Stephan X M Boerrigter, Raymond P Scaringe, et al.Journal of Computational Chemistry|January 14, 2012
Density functional study of S(N) 2 substitution reactions for CH(3) Cl + CX(1) X(2•-) (X(1) X(2) = HH, HF, HCl, HBr, HI, FF, ClCl, BrBr, and II)Jun-Xi Liang, Zhi-Yuan Geng, Yong-Cheng WangJournal of Computational Chemistry|January 14, 2012
Highlighting and trying to overcome a serious drawback with QSPR studies; data collection in different experimental conditions (mixed-QSPR)Abolghasem Beheshti, Siavash Riahi, Mohammad Reza Ganjali, et al.Pageof 594