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Journal of Computer-Aided Molecular Design|October 1, 1993
Stereochemistry of ulapualides, a new family of tris-oxazole-containing macrolide ionophores from marine nudibranchs. A molecular mechanics studyJ Maddock, G Pattenden, P G WightJournal of Computer-Aided Molecular Design|April 1, 1993
An exploration of a novel strategy for superposing several flexible moleculesT D Perkins, P M DeanJournal of Computer-Aided Molecular Design|June 1, 1995
PRO_LIGAND: an approach to de novo molecular design. 4. Application to the design of peptidesD Frenkel, D E Clark, J Li, et al.Journal of Computer-Aided Molecular Design|June 1, 1993
An approximate but efficient method to calculate free energy trends by computer simulation: application to dihydrofolate reductase-inhibitor complexesP R Gerber, A E Mark, W F van GunsterenJournal of Computer-Aided Molecular Design|April 1, 1996
Conformational and receptor-binding properties of the insect neuropeptide proctolin and its analoguesB Odell, S J Hammond, R Osborne, et al.Journal of Computer-Aided Molecular Design|April 1, 1996
The coordination of the catalytic zinc in alcohol dehydrogenase studied by combined quantum-chemical and molecular mechanics calculationsU RydeJournal of Computer-Aided Molecular Design|April 1, 1996
Computer simulation of the binding of amonafide and azonafide to DNAS Bear, W A RemersJournal of Computer-Aided Molecular Design|October 1, 1995
Characterising the geometric diversity of functional groups in chemical databasesS M Boyd, M Beverley, L Norskov, et al.Journal of Computer-Aided Molecular Design|October 1, 1995
The atom assignment problem in automated de novo drug design. 5. Tests for envelope-directed fragment placement based on molecular similarityM T Barakat, P M DeanJournal of Computer-Aided Molecular Design|August 1, 1995
Investigating the extension of pairwise distance pharmacophore measures to triplet-based descriptorsA C Good, I D KuntzPageof 263