Maxim Totrov

12.0k total citations · 2 hit papers
117 papers, 9.0k citations indexed

About

Maxim Totrov is a scholar working on Molecular Biology, Computational Theory and Mathematics and Materials Chemistry. According to data from OpenAlex, Maxim Totrov has authored 117 papers receiving a total of 9.0k indexed citations (citations by other indexed papers that have themselves been cited), including 75 papers in Molecular Biology, 46 papers in Computational Theory and Mathematics and 27 papers in Materials Chemistry. Recurrent topics in Maxim Totrov's work include Computational Drug Discovery Methods (45 papers), Protein Structure and Dynamics (36 papers) and HIV Research and Treatment (18 papers). Maxim Totrov is often cited by papers focused on Computational Drug Discovery Methods (45 papers), Protein Structure and Dynamics (36 papers) and HIV Research and Treatment (18 papers). Maxim Totrov collaborates with scholars based in United States, United Kingdom and Germany. Maxim Totrov's co-authors include Ruben Abagyan, Dmitry Kuznetsov, Juan Fernández‐Recio, Matthieu Schapira, Jianghong An, Olga Lomovskaya, Marco A. C. Neves, Timothy Cardozo, Badry Bursulaya and Charles L. Brooks and has published in prestigious journals such as Proceedings of the National Academy of Sciences, Nucleic Acids Research and Blood.

In The Last Decade

Maxim Totrov

112 papers receiving 8.7k citations

Hit Papers

align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

1994 1.4k citations Ruben Abagyan, Maxim Totrov et al. profile →
Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins

1994 803 citations Ruben Abagyan, Maxim Totrov profile →

Peers — A (Enhanced Table)

Peers by citation overlap · career bar shows stage (early→late) cites · hero ref

Name	h						Papers	Cites
Maxim Totrov United States	44	6.2k	2.8k	1.5k	917	916	117	9.0k
Amedeo Caflisch Switzerland	71	11.0k 1.8×	2.6k 0.9×	2.6k 1.7×	593 0.6×	1.1k 1.3×	288	14.8k
Tai‐Sung Lee United States	31	8.0k 1.3×	1.9k 0.7×	1.9k 1.2×	416 0.5×	1.2k 1.3×	76	11.8k
Mark A. Murcko United States	43	6.1k 1.0×	4.0k 1.4×	1.2k 0.8×	841 0.9×	2.3k 2.5×	72	10.8k
John L. Klepeis United States	24	7.0k 1.1×	1.8k 0.7×	1.9k 1.3×	428 0.5×	970 1.1×	33	10.6k
Yong Duan United States	41	10.5k 1.7×	1.8k 0.6×	3.1k 2.1×	436 0.5×	1.1k 1.2×	197	14.8k
Andrew L. Hopkins United Kingdom	30	9.1k 1.5×	5.0k 1.8×	803 0.5×	1.4k 1.5×	1.9k 2.1×	63	14.2k
Nathan Baker United States	42	10.6k 1.7×	1.3k 0.5×	2.2k 1.5×	444 0.5×	855 0.9×	114	15.4k
Tyler Day United States	22	6.1k 1.0×	2.7k 1.0×	760 0.5×	1.0k 1.1×	1.9k 2.1×	24	10.4k
Irina Massova United States	21	5.0k 0.8×	1.4k 0.5×	837 0.6×	616 0.7×	976 1.1×	34	7.8k
Peter S. Shenkin United States	19	7.4k 1.2×	3.4k 1.2×	1.4k 0.9×	1.1k 1.2×	2.1k 2.3×	28	11.1k

Countries citing papers authored by Maxim Totrov

Since Specialization

Citations

This map shows the geographic impact of Maxim Totrov's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Maxim Totrov with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Maxim Totrov more than expected).

Fields of papers citing papers by Maxim Totrov

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Maxim Totrov. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Maxim Totrov. The network helps show where Maxim Totrov may publish in the future.

Co-authorship network of co-authors of Maxim Totrov

This figure shows the co-authorship network connecting the top 25 collaborators of Maxim Totrov. A scholar is included among the top collaborators of Maxim Totrov based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Maxim Totrov. Maxim Totrov is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

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20 of 20 papers shown

Totrov, Maxim, et al.. (2025). Novel GPU Engines for Virtual Screening of Giga-Sized Libraries Identify Inhibitors of Challenging Targets. Journal of Chemical Information and Modeling. 65(19). 10253–10268.

Li, Haibo, R. Justin Grams, Emilio Merino, et al.. (2025). Benzo-ring modification on Malaria Box hit MMV008138: effects on antimalarial potency and microsomal stability. RSC Medicinal Chemistry. 16(10). 5052–5058.

Swale, Daniel R., Paul R. Carlier, Maxim Totrov, & Jeffrey R. Bloomquist. (2025). Solvent-, enzyme-, and structural-dependence of phenyl-substituted methyl carbamate inhibition of acetylcholinesterase. Insect Biochemistry and Molecular Biology. 184. 104385–104385.

Li, Haibo, Emilio F. Merino, Lee M, et al.. (2024). β-Carboline-3-carboxamide Antimalarials: Structure–Activity Relationship, ADME-Tox Studies, and Resistance Profiling. ACS Infectious Diseases. 10(11). 3951–3962. 1 indexed citations

Abagyan, Ruben, et al.. (2024). Efficient Generation of Conformer Ensembles Using Internal Coordinates and a Generative Directional Graph Convolution Neural Network. Journal of Chemical Theory and Computation. 20(9). 4054–4063. 4 indexed citations

Hioe, Catarina E., Daniel W. Heindel, Jéromine Klingler, et al.. (2023). Vaccination with immune complexes modulates the elicitation of functional antibodies against HIV-1. Frontiers in Immunology. 14. 1271686–1271686. 1 indexed citations

Abagyan, Ruben, et al.. (2022). Graph-Convolutional Neural Net Model of the Statistical Torsion Profiles for Small Organic Molecules. Journal of Chemical Information and Modeling. 62(23). 5896–5906. 3 indexed citations

Merino, Emilio F., et al.. (2022). Malaria Box-Inspired Discovery of N-Aminoalkyl-β-carboline-3-carboxamides, a Novel Orally Active Class of Antimalarials. ACS Medicinal Chemistry Letters. 13(3). 365–370. 13 indexed citations

Slebodnick, Carla, et al.. (2022). Enantiopure Benzofuran-2-carboxamides of 1-Aryltetrahydro-β-carbolines Are Potent Antimalarials In Vitro. ACS Medicinal Chemistry Letters. 13(3). 371–376. 9 indexed citations

10.

Lam, Polo C.‐H., Ruben Abagyan, & Maxim Totrov. (2019). Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4. Journal of Computer-Aided Molecular Design. 33(12). 1057–1069. 8 indexed citations

11.

Mutunga, James M., Ming Ma, Qiao‐Hong Chen, et al.. (2019). Mosquito Acetylcholinesterase as a Target for Novel Phenyl-Substituted Carbamates. International Journal of Environmental Research and Public Health. 16(9). 1500–1500. 6 indexed citations

12.

Liu, Lily, Liuzhe Li, Aubin Nanfack, et al.. (2019). Anti-V2 antibody deficiency in individuals infected with HIV-1 in Cameroon. Virology. 529. 57–64. 7 indexed citations

13.

Carlier, Paul R., Qiao‐Hong Chen, Astha Verma, et al.. (2018). Select β- and γ-branched 1-alkylpyrazol-4-yl methylcarbamates exhibit high selectivity for inhibition of Anopheles gambiae versus human acetylcholinesterase. Pesticide Biochemistry and Physiology. 151. 32–39. 4 indexed citations

14.

Merino, Emilio F., Zhong‐Ke Yao, Rubayet Elahi, et al.. (2017). Biological Studies and Target Engagement of the 2-C-Methyl-d-Erythritol 4-Phosphate Cytidylyltransferase (IspD)-Targeting Antimalarial Agent (1R,3S)-MMV008138 and Analogs. ACS Infectious Diseases. 4(4). 549–559. 37 indexed citations

15.

Wong, Dawn M., Jianyong Li, Qiao‐Hong Chen, et al.. (2012). Select Small Core Structure Carbamates Exhibit High Contact Toxicity to “Carbamate-Resistant” Strain Malaria Mosquitoes, Anopheles gambiae (Akron). PLoS ONE. 7(10). e46712–e46712. 29 indexed citations

16.

Zolla‐Pazner, Susan, Xiang‐Peng Kong, Xunqing Jiang, et al.. (2011). Cross-Clade HIV-1 Neutralizing Antibodies Induced with V3-Scaffold Protein Immunogens following Priming with gp120 DNA. Journal of Virology. 85(19). 9887–9898. 50 indexed citations

17.

Totrov, Maxim, Xunqing Jiang, Xiang‐Peng Kong, et al.. (2010). Structure-guided design and immunological characterization of immunogens presenting the HIV-1 gp120 V3 loop on a CTB scaffold. Virology. 405(2). 513–523. 38 indexed citations

18.

Totrov, Maxim & Ruben Abagyan. (2008). Flexible ligand docking to multiple receptor conformations: a practical alternative. Current Opinion in Structural Biology. 18(2). 178–184. 381 indexed citations

19.

Kufareva, Irina, et al.. (2007). PIER: Protein interface recognition for structural proteomics. Proteins Structure Function and Bioinformatics. 67(2). 400–417. 87 indexed citations

20.

Totrov, Maxim & Ruben Abagyan. (2001). Rapid boundary element solvation electrostatics calculations in folding simulations: Successful folding of a 23-residue peptide. Biopolymers. 60(2). 124–133. 108 indexed citations

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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