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Journal of Molecular Modeling|June 29, 2018
Application of a computational model of natural deep eutectic solvents utilizing the COSMO-RS approach for screening of solvents with high solubility of rutinTomasz Jeliński, Piotr CysewskiJournal of Molecular Modeling|June 29, 2018
Potential antidiabetic activity and molecular docking studies of novel synthesized 3.6-dimethyl-5-oxo-pyrido[3,4-f][1,2,4]triazepino[2,3-a]benzimidazole and 10-amino-2-methyl-4-oxo pyrimido[1,2-a]benzimidazole derivativesYouness El Bakri, El Hassane Anouar, Ilias Marmouzi, et al.Journal of Molecular Modeling|January 20, 2010
TollML: a database of toll-like receptor structural motifsJing Gong, Tiandi Wei, Ning Zhang, et al.Journal of Molecular Modeling|September 19, 2016
Theoretical investigation of loratadine reactivity in order to understand its degradation properties: DFT and MD studyStevan Armaković, Sanja J Armaković, Biljana F AbramovićJournal of Molecular Modeling|September 3, 2016
Insight into drug resistance mechanisms and discovery of potential inhibitors against wild-type and L1196M mutant ALK from FDA-approved drugsJianzong Li, Wei Liu, Hao Luo, et al.Journal of Molecular Modeling|May 10, 2017
DFT computational correlations on conformational barriers of Zn2+ and Ni2+ chiral meso-(α,β-unsaturated)- porphyrinsAdrian Calborean, Florin Graur, Vasile BintintanJournal of Molecular Modeling|August 26, 2016
De novo design of VEGFR-2 tyrosine kinase inhibitors based on a linked-fragment approachYi-Zhou Liu, Xiao-Li Wang, Xin-Ying Wang, et al.Journal of Molecular Modeling|August 27, 2016
Computational insight into complex structures of thorium coordination with N, N'- bis(3-allyl salicylidene)-o-phenylenediamineWenbo Lan, Sha Gao, Ying-Wu Lin, et al.Journal of Molecular Modeling|August 29, 2016
In silico studies of the interaction between BRN2 protein and MORE DNAIvan Evangelista do Vale Coelho, Denise Costa Arruda, Alex Gutterres TarantoJournal of Molecular Modeling|August 30, 2016
Study on the anisotropic response of condensed-phase RDX under repeated stress wave loading via ReaxFF molecular dynamics simulationNing Wang, Jinhua Peng, Aimin Pang, et al.Pageof 699