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Journal of Chemical Information and Computer Sciences|March 23, 2004
Conditional probability: a new fusion method for merging disparate virtual screening resultsJohn W Raymond, Mehran Jalaie, Mary P BradleyJournal of Computational Chemistry|July 28, 2010
The flexible alignment of molecular structures using simulated annealing with weighted Lagrangian multipliersJohn W Raymond, Daniel D Holsworth, Mehran JalaieMini Reviews in Medicinal Chemistry|November 1, 2006
Virtual screening: are we there yet?Mehran Jalaie, Veerabahu ShanmugasundaramMini Reviews in Medicinal Chemistry|December 27, 2005
QT interval prolongation: and the beat goes onMehran Jalaie, Daniel D HolsworthJournal of Chemical Information and Modeling|July 19, 2025
Comparative Analysis of Quantum-Mechanical and Standard Single-Structure Protein-Ligand Scoring Functions with MD-Based Free Energy CalculationsMehran Jalaie, Jindřich Fanfrlík, Adam Pecina, et al.Methods in Molecular Biology (Clifton, N.J.)|May 14, 2004
Prediction of drug-like molecular properties: modeling cytochrome p450 interactionsMehran Jalaie, Rieko Arimoto, Eric Gifford, et al.Chemical Research in Toxicology|August 25, 2009
Characterization of cytochrome P450-mediated bioactivation of a compound containing the chemical scaffold, 4,5-dihydropyrazole-1-carboxylic acid-(4-chlorophenyl amide), to a chemically reactive p-chlorophenyl isocyanate intermediate in human liver microsomesHao Chen, Michael Zientek, Mehran Jalaie, et al.Journal of Medicinal Chemistry|December 30, 2003
Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracyJon A Erickson, Mehran Jalaie, Daniel H Robertson, et al.Journal of Chemical Information and Modeling|July 10, 2026
Strategies for Identifying Molecules of Interest in Large Chemical SpacesRaphael Klein, Sascha Jung, Alexander Neumann, et al.Journal of Computer-Aided Molecular Design|August 29, 2002
Effectiveness of graph-based and fingerprint-based similarity measures for virtual screening of 2D chemical structure databasesJohn W Raymond, Peter WillettPageof 4