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Journal of Computer-Aided Molecular Design|August 6, 2002
Molecular modeling of interactions of the non-peptide antagonist YM087 with the human vasopressin V1a, V2 receptors and with oxytocin receptorsA Giełdoń, R Kaźmierkiewicz, R Slusarz, et al.Journal of Computer-Aided Molecular Design|August 10, 2001
Similarity searching in large combinatorial chemistry spacesM Rarey, M StahlJournal of Computer-Aided Molecular Design|August 10, 2001
Use of surface area computations to describe atom-atom interactionsX de La Cruz, M CalvoJournal of Computer-Aided Molecular Design|February 27, 2003
Fast estimation of hydrogen-bonding donor and acceptor propensities: a GMIPp studyAlbert Salichs, M López, V Segarra, et al.Journal of Computer-Aided Molecular Design|February 27, 2003
Molecular dynamics simulation of cyclosophoroheptadecaose (Cys-A)Hyunmyung Kim, Karpjoo Jeong, Sangsan Lee, et al.Journal of Computer-Aided Molecular Design|February 27, 2003
QSAR of benzene derivatives: comparison of classical descriptors, quantum theoretic parameters and flip regression, exemplified by phenylalkylamine hallucinogensBrian W ClareJournal of Computer-Aided Molecular Design|February 27, 2003
A comparison of the pharmacophore identification programs: Catalyst, DISCO and GASPYogendra Patel, Valerie J Gillet, Gianpaolo Bravi, et al.Journal of Computer-Aided Molecular Design|March 26, 2003
Combining NMR spectral and structural data to form models of polychlorinated dibenzodioxins, dibenzofurans, and biphenyls binding to the AhRRichard D Beger, Dan A Buzatu, Jon G WilkesJournal of Computer-Aided Molecular Design|March 26, 2003
Analysis methods for identifying coordinated movements during ligand unbindingP L Chau, P W A HoweJournal of Computer-Aided Molecular Design|June 27, 2003
Flexsim-R: a virtual affinity fingerprint descriptor to calculate similarities of functional groupsAlexander Weber, Andreas Teckentrup, Hans BriemPageof 264