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Journal of Molecular Graphics & Modelling|January 5, 2002
Novel local (fragment-based) topological molecular descriptors for QSpr/QSAR and molecular designE Estrada, E MolinaJournal of Molecular Graphics & Modelling|January 5, 2002
Molecular connectivity: intermolecular accessibility and encounter simulationL B Kier, L H HallJournal of Molecular Graphics & Modelling|January 5, 2002
Automatic generation of alignments for 3D QSAR analysesN E Jewell, D B Turner, P Willett, et al.Journal of Molecular Graphics & Modelling|January 5, 2002
Superimposition-based protocol as a tool for determining bioactive conformations. II. Application to the GABA(A) receptorE Gálvez-Ruano, I Iriepa, A Morreale, et al.Journal of Molecular Graphics & Modelling|November 5, 2002
QSAR studies of the pyrethroid insecticides. Part 3. A putative pharmacophore derived using methodology based on molecular dynamics and hierarchical cluster analysisMartyn G Ford, Neil E Hoare, Brian D Hudson, et al.Journal of Molecular Graphics & Modelling|November 5, 2002
Molecular modeling and QSAR studies on K(ATP) channel openers of the benzopyran typeUlrike Uhrig, Hans-Dieter Höltje, Raimund Mannhold, et al.Journal of Molecular Graphics & Modelling|November 5, 2002
A semiempirical study on the electronic structure of 10-deacetylbaccatin-IIIS F Braga, D S GalvãoJournal of Molecular Graphics & Modelling|June 8, 2001
Simulation of geometrical and electronic structure of quasi-two-dimensional layer consisting of fullerenes D6h-C36E G Gal'pern, I V Stankevich, A L Chistyakov, et al.Journal of Molecular Graphics & Modelling|June 8, 2001
Weighted HOMO-LUMO energy separations of properly closed-shell fullerene isomersJ Aihara, M YoshidaJournal of Molecular Graphics & Modelling|June 8, 2001
Intrafullerene electron transfers in Sm-containing metallofullerenes: Sm@C2n (74 < or = 2n < or = 84)T Okazaki, K Suenaga, Y Lian, et al.Pageof 402