Araz Jakalian

Fast, efficient generation of high‐quality atomic charges. AM1‐BCC model: II. Parameterization and validation

Araz Jakalian, D. B. Jack, Christopher I. Bayly · Journal of Computational Chemistry · 2002 · 3.5K citations

Natural Sciences, Chemistry, Physics +15

Fast, efficient generation of high-quality atomic charges. AM1-BCC model: I. Method

Araz Jakalian, Bruce L. Bush, D. B. Jack et al. · Journal of Computational Chemistry · 2000 · 1.6K citations

Natural Sciences, Chemistry, Computational Chemistry +10

Revealing Atropisomer Axial Chirality in Drug Discovery

Steven R. LaPlante, Paul Edwards, Lee D. Fader et al. · ChemMedChem · 2011 · 520 citations

Pharmacy, Chemistry, Medicinal Chemistry +9

Solvated Interaction Energy (SIE) for Scoring Protein−Ligand Binding Affinities. 1. Exploring the Parameter Space

Marwen Naïm, Sathesh Bhat, Kathryn N. Rankin et al. · Journal of Chemical Information and Modeling · 2007 · 427 citations

Natural Sciences, Biophysics, Chemistry +17

Discovery of BI 224436, a Noncatalytic Site Integrase Inhibitor (NCINI) of HIV-1

Lee D. Fader, Éric Malenfant, Mathieu Parisien et al. · ACS Medicinal Chemistry Letters · 2014 · 180 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17