Maxim Totrov

8PUBLICATIONS
14CO-AUTHORS
Biologically active moleculesMedical parasitologyComputer aided designCheminformatics and quantitative structure-activity relationshipsTheoretical quantum chemistry
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Publications (8)

|Apr 27, 2026
Identification of an Orally Efficacious Imidazo[4,5-c]pyridine-6-Carboxamide Antimalarial with a High Barrier to Resistance.

|Oct 17, 2025
Characterization of β-Carboline Derivatives Reveals a High Barrier to Resistance and Potent Activity against Ring-Stage and DHA-Induced Dormant Plasmodium falciparum.

Reagan S Haney, Joshua H Butler, Lyric A Wardlaw

|Sep 17, 2025
Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets.

Eugene Raush, Maxim Totrov, Cody L Hoop

|Jan 14, 2025
Stereospecific Resistance to N2-Acyl Tetrahydro-β-carboline Antimalarials Is Mediated by a PfMDR1 Mutation That Confers Collateral Drug Sensitivity.

Emily K Bremers, Joshua H Butler, Leticia S Do Amaral

|Oct 28, 2024
β-Carboline-3-carboxamide Antimalarials: Structure-Activity Relationship, ADME-Tox Studies, and Resistance Profiling.

Jopaul Mathew, Bo Zhou, Reagan S Haney

|Apr 26, 2024
Efficient Generation of Conformer Ensembles Using Internal Coordinates and a Generative Directional Graph Convolution Neural Network.

Eugene Raush, Ruben Abagyan, Maxim Totrov

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Frequent Collaborators

4 joint publications

Emilio F Merino

4 joint publications

Maria Belen Cassera

4 joint publications

Paul R Carlier

3 joint publications

Bo Zhou