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Journal of Molecular Modeling|June 27, 2018
Investigation of the effect of homocysteinylation of substance P on its binding to the NK1 receptor using molecular dynamics simulationSamira Davoudmanesh, Jafar Mohammadian MosaabadiJournal of Molecular Modeling|July 2, 2018
Choice of a spin singlet or triplet: electronic properties of Bis-Co(II), Bis-Ni(II), Bis-Cu(II) and Bis-Zn(II) oxygen doubly N-confused hexaphyrin (1.1.1.1.1.1)Gang Sun, E Lei, Xiang-Shuai Liu, et al.Journal of Molecular Modeling|June 2, 2018
On bond-critical points in QTAIM and weak interactionsChristian R Wick, Timothy ClarkJournal of Molecular Modeling|April 26, 2019
New advances in conceptual-DFT: an alternative way to calculate the Fukui function and dual descriptorJesús Sánchez-MárquezJournal of Molecular Modeling|September 19, 2003
Markovian chemicals "in silico" design (MARCH-INSIDE), a promising approach for computer-aided molecular design I: discovery of anticancer compoundsHumberto Gonzáles-Díaz, Ornella Gia, Eugenio Uriarte, et al.Journal of Molecular Modeling|October 1, 2003
Structural and functional characterization of the human CCR5 receptor in complex with HIV gp120 envelope glycoprotein and CD4 receptor by molecular modeling studiesShuqun Liu, Shixiu Fan, Zhirong SunJournal of Molecular Modeling|October 1, 2003
Determination of amino acid pairs in human p53 protein sensitive to mutations/variants by means of a random approachGuang Wu, Shaomin YanJournal of Molecular Modeling|October 1, 2003
Local molecular properties and their use in predicting reactivityBernd Ehresmann, Bodo Martin, Anselm H C Horn, et al.Journal of Molecular Modeling|December 24, 2003
Active site modeling in copper azurin molecular dynamics simulationsBruno Rizzuti, Marcel Swart, Luigi Sportelli, et al.Journal of Molecular Modeling|October 8, 2003
Molecular dynamics study of 4-OH-phenylacetyl- D-Y(Me)FQNRPR-NH2 selectivity to V1a receptorArtur Giełdoń, Rajmund Kaźmierkiewicz, Rafał Slusarz, et al.Pageof 694