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Journal of Computational Chemistry|May 30, 2009
Using Gaussian model to improve biological sequence comparisonQi Dai, Xiaoqing Liu, Lihua Li, et al.Journal of Computational Chemistry|June 27, 2009
Fourier transform convolution integrals applied to generalized Born molecular volumeThierry Schüpbach, Vincent Zoete, Brice Tsakam-Sotché, et al.Journal of Computational Chemistry|June 17, 2009
The use of time-averaged 3JHH restrained molecular dynamics (tar-MD) simulations for the conformational analysis of five-membered ring systems: methodology and applicationsPieter M S Hendrickx, Francisco Corzana, Stefaan Depraetere, et al.Journal of Computational Chemistry|July 4, 2009
CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fieldsK Vanommeslaeghe, E Hatcher, C Acharya, et al.Journal of Computational Chemistry|July 2, 2009
Ligand shape emerges in solvent dipole ordering region at ligand binding site of proteinKatsumi Murata, Naoya Nagata, Isao Nakanishi, et al.Journal of Computational Chemistry|July 2, 2009
Stability of the hydration layer of tropocollagen: A QM studyVillo K Pálfi, András PerczelJournal of Computational Chemistry|July 2, 2009
Ligand and structure-based models for the prediction of ligand-receptor affinities and virtual screenings: Development and application to the beta(2)-adrenergic receptorSantiago Vilar, Joel Karpiak, Stefano CostanziJournal of Computational Chemistry|January 6, 2009
Charge transport in stacking metal and metal-free phthalocyanine iodides. Effects of packing, dopants, external electric field, central metals, core modification, and substitutionsShuang Chen, Jing MaJournal of Computational Chemistry|October 11, 2008
A theoretical study on fullerene-dizincocene hybridsGuohua Gao, Xiang Xu, Hong Seok KangJournal of Computational Chemistry|January 14, 2009
A new hybrid DFT approach to electronic excitation and first hyperpolarizabilities of transition metal complexesJian Lin, Kechen Wu, Mingxin ZhangPageof 595