Akash Khandelwal

A Combination of Docking, QM/MM Methods, and MD Simulation for Binding Affinity Estimation of Metalloprotein Ligands

Akash Khandelwal, Viera Lukáčová, Doğan Çömez et al. · Journal of Medicinal Chemistry · 2005 · 149 citations · Full text

Drug Target, Engineering, Computational Chemistry +17

Multi-level Analysis of Organic Anion Transporters 1, 3, and 6 Reveals Major Differences in Structural Determinants of Antiviral Discrimination

David M. Truong, Gregory Kaler, Akash Khandelwal et al. · Journal of Biological Chemistry · 2008 · 95 citations · Full text

Structural Variation Governs Substrate Specificity for Organic Anion Transporter (OAT) Homologs

Gregory Kaler, David M. Truong, Akash Khandelwal et al. · Journal of Biological Chemistry · 2007 · 89 citations · Full text

A Semimechanistic Pharmacokinetic-Enzyme Turnover Model for Rifampin Autoinduction in Adult Tuberculosis Patients

Wynand Smythe, Akash Khandelwal, Corinne Merle et al. · Antimicrobial Agents and Chemotherapy · 2012 · 87 citations · Full text

Own Metabolism, Pharmacotherapy, System Pharmacology +21

Safety, pharmacokinetics, and antimalarial activity of the novel plasmodium eukaryotic translation elongation factor 2 inhibitor M5717: a first-in-human, randomised, placebo-controlled, double-blind, single ascending dose study and volunteer infection study

James McCarthy, Özkan Yalkinoglu, Anand Odedra et al. · The Lancet Infectious Diseases · 2021 · 75 citations · Full text