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Journal of Computer-Aided Molecular Design|February 1, 1994
CAVEAT: a program to facilitate the design of organic moleculesG Lauri, P A BartlettJournal of Computer-Aided Molecular Design|August 1, 1994
Quantitative structure-activity relationships by neural networks and inductive logic programming. I. The inhibition of dihydrofolate reductase by pyrimidinesJ D Hirst, R D King, M J SternbergJournal of Computer-Aided Molecular Design|August 1, 1994
Rational design of novel neurotensin mimetics: discovery of a pharmacologically unprecedented agent exhibiting concentration-dependent dual effects as antagonist and full agonistY P Pang, J Zaidi, A P Kozikowski, et al.Journal of Computer-Aided Molecular Design|August 1, 1994
Chemometric QSAR studies of antifungal azoxy compoundsK Hasegawa, T Deushi, H Yoshida, et al.Journal of Computer-Aided Molecular Design|October 1, 1994
Rational design of hirulog-type inhibitors of thrombinU Egner, G A Hoyer, W D SchleuningJournal of Computer-Aided Molecular Design|March 31, 2024
Identifying and characterising promising small molecule inhibitors of kinesin spindle protein using ligand-based virtual screening, molecular docking, molecular dynamics and MM‑GBSA calculationsSamia A ElseginyJournal of Computer-Aided Molecular Design|August 23, 2024
Computational design and experimental confirmation of a disulfide-stapled YAP helixα1-trap derived from TEAD4 helical hairpin to selectively capture YAP α1-helix with potent antitumor activityKaipeng Li, Lijun LiuJournal of Computer-Aided Molecular Design|October 7, 2023
MASSA Algorithm: an automated rational sampling of training and test subsets for QSAR modelingGabriel Corrêa Veríssimo, Simone Queiroz Pantaleão, Philipe de Olveira Fernandes, et al.Journal of Computer-Aided Molecular Design|October 4, 2023
Cooperative and structural relationships of the trimeric Spike with infectivity and antibody escape of the strains Delta (B.1.617.2) and Omicron (BA.2, BA.5, and BQ.1)Anacleto Silva de Souza, Robson Francisco de Souza, Cristiane Rodrigues GuzzoJournal of Computer-Aided Molecular Design|September 24, 2023
Improving the accuracy of the FMO binding affinity prediction of ligand-receptor complexes containing metalsR Paciotti, A Marrone, C Coletti, et al.Pageof 265