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Journal of Computer-Aided Molecular Design|June 12, 2013
Estimation of relative binding free energy based on a free energy variational principle for the FKBP-ligand systemTakeshi Ashida, Takeshi KikuchiJournal of Computer-Aided Molecular Design|April 25, 2013
Identification of ligands that target the HCV-E2 binding site on CD81Reem Al Olaby, Hassan M Azzazy, Rodney Harris, et al.Journal of Computer-Aided Molecular Design|April 26, 2013
QSAR workbench: automating QSAR modeling to drive compound designRichard Cox, Darren V S Green, Christopher N Luscombe, et al.Journal of Computer-Aided Molecular Design|July 30, 2013
NMR-assisted computational studies of peptidomimetic inhibitors bound in the hydrophobic pocket of HIV-1 glycoprotein 41Miriam Gochin, Landon R Whitby, Aaron H Phillips, et al.Journal of Computer-Aided Molecular Design|April 25, 2012
Virtual screening using a conformationally flexible target protein: models for ligand binding to p38α MAPKNatalie B Vinh, Jamie S Simpson, Peter J Scammells, et al.Journal of Computer-Aided Molecular Design|March 29, 2002
High-affinity interactions of ligands at recombinant guinea pig 5HT7 receptorsR E Wilcox, J E Ragan, R S Pearlman, et al.Journal of Computer-Aided Molecular Design|May 7, 2002
Molecular dynamics of 5-HT1A and 5-HT2A serotonin receptors with methylated buspirone analoguesA Bronowska, Z Chilmonczyk, A Leś, et al.Journal of Computer-Aided Molecular Design|May 7, 2002
Structure-based ligand design for flexible proteins: application of new F-DycoBlockJ Zhu, H Fan, H Liu, et al.Journal of Computer-Aided Molecular Design|February 1, 1995
New molecular shape descriptors: application in database screeningA C Good, T J Ewing, D A Gschwend, et al.Journal of Computer-Aided Molecular Design|December 1, 1994
Different approaches toward an automatic structural alignment of drug molecules: applications to sterol mimics, thrombin and thermolysin inhibitorsG Klebe, T Mietzner, F WeberPageof 263