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Journal of Computer-Aided Molecular Design|October 10, 2019
www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices-the Py-CoMFA web application as tool to build models from pre-aligned datasetsRino RagnoJournal of Computer-Aided Molecular Design|September 28, 2018
Parameterization of a coarse-grained model of cholesterol with point-dipole electrostaticsP Siani, H Khandelia, M Orsi, et al.Journal of Computer-Aided Molecular Design|July 12, 2019
Structural analysis of the Aβ(11-42) amyloid fibril based on hydrophobicity distributionIrena Roterman, Dawid Dułak, Małgorzata Gadzała, et al.Journal of Computer-Aided Molecular Design|August 25, 2020
Pattern-free generation and quantum mechanical scoring of ring-chain tautomersDaniel S Levine, Mark A Watson, Leif D Jacobson, et al.Journal of Computer-Aided Molecular Design|August 5, 1998
MTD-ADJ: a multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activitiesT Sulea, L Kurunczi, T I Oprea, et al.Journal of Computer-Aided Molecular Design|June 20, 2012
Structural prediction of a novel chitinase from the psychrophilic Glaciozyma antarctica PI12 and an analysis of its structural properties and functionAizi Nor Mazila Ramli, Nor Muhammad Mahadi, Mohd Shahir Shamsir, et al.Journal of Computer-Aided Molecular Design|May 29, 2014
Temperature effect on poly(dA).poly(dT): molecular dynamics simulation studies of polymeric and oligomeric constructsSanchita Mukherjee, Sangeeta Kundu, Dhananjay BhattacharyyaJournal of Computer-Aided Molecular Design|January 25, 2014
Virtual screening of the SAMPL4 blinded HIV integrase inhibitors datasetClaire Colas, Bogdan I IorgaJournal of Computer-Aided Molecular Design|August 16, 2012
Structure-based virtual screening of small-molecule antagonists of platelet integrin αIIbβ3 that do not prime the receptor to bind ligandAna Negri, Jihong Li, Sarasija Naini, et al.Journal of Computer-Aided Molecular Design|June 15, 2014
FreeSolv: a database of experimental and calculated hydration free energies, with input filesDavid L Mobley, J Peter GuthriePageof 263