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Journal of Molecular Modeling|June 18, 2017
Is the hydrophobic core a universal structural element in proteins?Barbara Kalinowska, Mateusz Banach, Zdzisław Wiśniowski, et al.Journal of Molecular Modeling|February 23, 2010
CoMFA and CoMSIA analyses on 1,2,3,4-tetrahydropyrrolo[3,4-b]indole and benzimidazole derivatives as selective CB2 receptor agonistsElena Cichero, Sara Cesarini, Luisa Mosti, et al.Journal of Molecular Modeling|February 23, 2010
Probing the structure of Leishmania donovani chagasi DHFR-TS: comparative protein modeling and protein-ligand interaction studiesLakshmi Maganti, Prabu Manoharan, Nanda GhoshalJournal of Molecular Modeling|September 21, 2016
Theoretical investigation on exciton-dissociation and charge-recombination processes of PC61BM-PTDPPSe interfaceCaibin Zhao, Hongguang Ge, Lingxia Jin, et al.Journal of Molecular Modeling|February 11, 2010
Structures and energies of the radicals and anions generated from chlorpyrifosYi Zhang, Chang-Zhong Liu, Xiao-Jun Li, et al.Journal of Molecular Modeling|May 6, 2018
Theoretical study of hydrogen storage in metal hydridesAlyson C M Oliveira, A C PavãoJournal of Molecular Modeling|July 30, 2018
Identification of new promising Plasmodium falciparum superoxide dismutase allosteric inhibitors through hierarchical pharmacophore-based virtual screening and molecular dynamicsJanay Stefany Carneiro Araujo, Bruno Cruz de Souza, David Bacelar Costa Junior, et al.Journal of Molecular Modeling|August 10, 2018
Theoretical investigations of the chemical bonding in MM'O2 clusters (M, M' = Be, Mg, Ca)Robert Ponec, David L CooperJournal of Molecular Modeling|August 12, 2018
Investigating the structural properties of the active conformation BTL2 of a lipase from Geobacillus thermocatenulatus in toluene using molecular dynamic simulations and engineering BTL2 via in-silico mutationAslı Yenenler, Alessandro Venturini, Huseyin Cahit Burduroglu, et al.Journal of Molecular Modeling|June 16, 2018
Are homoleptic complexes of ethylene with group 12 metals isolable in solution? A DFT studyMauro Fianchini, Nuno A G BandeiraPageof 699