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Journal of Computer-Aided Molecular Design|February 1, 1992
A prediction of the three-dimensional structure of maize NADP(+)-dependent malate dehydrogenase which explains aspects of light-dependent regulation unique to plant enzymesR M Jackson, R B Sessions, J J HolbrookJournal of Computer-Aided Molecular Design|February 1, 1992
Models for the binding of amiodarone to the thyroid hormone receptorD K Chalmers, S L Munro, M N Iskander, et al.Journal of Computer-Aided Molecular Design|February 1, 1992
The computer program LUDI: a new method for the de novo design of enzyme inhibitorsH J BöhmJournal of Computer-Aided Molecular Design|October 1, 1991
Molecular determinants in the bioactivation of the dopaminergic neurotoxin N-methyl-4-phenyl-1,2,3,6-tetrahydropyridine (MPTP)S M Efange, R J BoudreauJournal of Computer-Aided Molecular Design|August 1, 1991
A graph-theoretic approach to modeling metabolic pathwaysE Gifford, M Johnson, C C TsaiJournal of Computer-Aided Molecular Design|August 1, 1991
The histamine H1-receptor antagonist binding site. Part I: Active conformation of cyproheptadineM J van Drooge, G M Donné-op den Kelder, H TimmermanJournal of Computer-Aided Molecular Design|March 18, 2006
Genetic algorithms as a tool for helix design--computational and experimental studies on prion protein helix 1Jan Ziegler, Stephan SchwarzingerJournal of Computer-Aided Molecular Design|September 16, 2005
In-silico screening using flexible ligand binding pockets: a molecular dynamics-based approachDakshanamurthy Sivanesan, Rajendram V Rajnarayanan, Jason Doherty, et al.Journal of Computer-Aided Molecular Design|November 25, 2022
Molecular and thermodynamic insights into interfacial interactions between collagen and cellulose investigated by molecular dynamics simulation and umbrella samplingHuaiqin Ma, Qingwen Shi, Xuhua Li, et al.Journal of Computer-Aided Molecular Design|November 25, 2022
Evaluation of interactions between the hepatitis C virus NS3/4A and sulfonamidobenzamide based molecules using molecular docking, molecular dynamics simulations and binding free energy calculationsJinhong Ren, Tasneem M Vaid, Hyun Lee, et al.Pageof 263