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Accounts of Chemical Research|September 7, 2022
Atropisomerism in Drug Discovery: A Medicinal Chemistry Perspective Inspired by Atropisomeric Class I PI3K InhibitorsStephane Perreault, Jayaraman Chandrasekhar, Leena PatelJournal of Computational Chemistry|October 24, 2002
PDDG/PM3 and PDDG/MNDO: improved semiempirical methodsMatthew P Repasky, Jayaraman Chandrasekhar, William L JorgensenJournal of Computational Chemistry|March 23, 2002
Improved semiempirical heats of formation through the use of bond and group equivalentsMatthew P Repasky, Jayaraman Chandrasekhar, William L JorgensenDrug Discovery Today|February 16, 2008
Strategies and tactics for optimizing the Hit-to-Lead process and beyond--a computational chemistry perspectiveCharles J Manly, Jayaraman Chandrasekhar, Joseph W Ochterski, et al.Journal of the American Chemical Society|May 29, 2003
Investigation of solvent effects for the Claisen rearrangement of chorismate to prephenate: mechanistic interpretation via near attack conformationsMatthew P Repasky, Cristiano Ruch Werneck Guimarães, Jayaraman Chandrasekhar, et al.Journal of the American Chemical Society|June 5, 2003
Contributions of conformational compression and preferential transition state stabilization to the rate enhancement by chorismate mutaseCristiano Ruch Werneck Guimarães, Matthew P Repasky, Jayaraman Chandrasekhar, et al.Drug Metabolism and Disposition: the Biological Fate of Chemicals|November 3, 2016
Interaction of 2,4-Diaminopyrimidine-Containing Drugs Including Fedratinib and Trimethoprim with Thiamine TransportersMarilyn M Giacomini, Jia Hao, Xiaomin Liang, et al.Bioorganic & Medicinal Chemistry Letters|March 18, 2003
Design, synthesis, and discovery of 5-piperazinyl-1,2,6,7-tetrahydro-5H-azepino[3,2,1-hi]indol-4-one derivatives: a novel series of mixed dopamine D2/D4 receptor antagonistHe Zhao, Xiaoyan Zhang, Kevin Hodgetts, et al.Bioorganic & Medicinal Chemistry Letters|August 2, 2008
2-Arylpyrimidines: novel CRF-1 receptor antagonistsTaeyoung Yoon, Stéphane De Lombaert, Robbin Brodbeck, et al.Bioorganic & Medicinal Chemistry Letters|January 9, 2008
The design, synthesis and structure-activity relationships of 1-aryl-4-aminoalkylisoquinolines: a novel series of CRF-1 receptor antagonistsTaeyoung Yoon, Stéphane De Lombaert, Robbin Brodbeck, et al.Pageof 2