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Journal of Computer-Aided Molecular Design|November 28, 2014
Markov model-based polymer assembly from force field-parameterized building blocksVedat DurmazJournal of Computer-Aided Molecular Design|November 30, 2014
Binding energy calculations for hevein-carbohydrate interactions using expanded ensemble molecular dynamics simulationsChaitanya A K Koppisetty, Martin Frank, Alexander P Lyubartsev, et al.Journal of Computer-Aided Molecular Design|November 8, 2014
Identification of antipsychotic drug fluspirilene as a potential p53-MDM2 inhibitor: a combined computational and experimental studySachin P Patil, Michael F Pacitti, Kevin S Gilroy, et al.Journal of Computer-Aided Molecular Design|October 23, 2014
Molecular dynamics simulation of halogen bonding mimics experimental data for cathepsin L inhibitionCristian Celis-Barros, Leslie Saavedra-Rivas, J Cristian Salgado, et al.Journal of Computer-Aided Molecular Design|October 27, 2014
Proteochemometric model for predicting the inhibition of penicillin-binding proteinsSunanta Nabu, Chanin Nantasenamat, Wiwat Owasirikul, et al.Journal of Computer-Aided Molecular Design|October 18, 2014
Computational study of elements of stability of a four-helix bundle protein biosurfactantAndrea Schaller, Natalie K Connors, Mirjana Dimitrijev Dwyer, et al.Journal of Computer-Aided Molecular Design|March 18, 2000
Molden: a pre- and post-processing program for molecular and electronic structuresG Schaftenaar, J H NoordikJournal of Computer-Aided Molecular Design|March 24, 1999
Essential dynamics/factor analysis for the interpretation of molecular dynamics trajectoriesR Kaźmierkiewicz, C Czaplewski, B Lammek, et al.Journal of Computer-Aided Molecular Design|March 24, 1999
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitorsJ Mestres, D C Rohrer, G M MaggioraJournal of Computer-Aided Molecular Design|March 29, 2001
Simulation of carbohydrate-protein interactions: computer-aided design of a second generation GM1 mimicA Bernardi, M Galgano, L Belvisi, et al.Pageof 265