Maxim Totrov

Molecular Biology · 1994–2022

A researcher in the Science corpus: 8 papers; trusts 9 researchers and is trusted by 17 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 29 citations into it; #6,869 of 17,773 by trust here, #10,347 by citations
• Computational Theory and Mathematics — 27 citations into it; #5,951 of 12,182 by trust here, #2,161 by citations
• Computational Chemistry & Drug Discovery — 16 citations into it
• Materials Chemistry — 10 citations into it; #5,513 of 11,513 by trust here, #9,147 by citations
• Computational Biology & Bioinformatics — 9 citations into it; #223 of 660 by trust here, #331 by citations
• Organic Chemistry — 5 citations into it

Whom Maxim Totrov trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Ruben Abagyan
2. Mark McGann
3. J. Kyte
4. Niu Huang
5. Jacob D. Durrant
6. Irina Kufareva
7. Marco A. C. Neves
8. Antonina Andreeva

Who trusts Maxim Totrov overall

1. Shengyou Huang
2. Ruben Abagyan
3. Evanthia Lionta
4. Elizabeth Yuriev
5. Sérgio Filipe Sousa
6. Anastasiia V. Sadybekov
7. Zsolt Bikádi
8. Polo Chun-Hung Lam
9. Anna Tramontano
10. Claudio N. Cavasotto

Papers from Maxim Totrov's perspective

Ordered by how strongly the researchers Maxim Totrov trusts endorse each paper. Same corpus, a different order for every researcher.

1. Diverse, high-quality test set for the validation of protein-ligand docking performance.
2. Benchmarking sets for molecular docking.
3. SCOP database in 2004: refinements integrate structure and sequence family data
4. Evaluating Virtual Screening Methods: Good and Bad Metrics for the "Early Recognition" Problem
5. Role of binding entropy in the refinement of protein–ligand docking predictions: Analysis based on the use of 11 scoring functions
6. Molecular properties that influence the oral bioavailability of drug candidates. (Journal of Medicinal Chemistry)
7. The RCSB Protein Data Bank: redesigned web site and web services
8. Virtual Ligand Screening of the p300/CBP Histone Acetyltransferase: Identification of a Selective Small Molecule Inhibitor (Chemistry and Biology)
9. FRED Pose Prediction and Virtual Screening Accuracy (Journal of Chemical Information and Modeling)
10. Empirical Scoring Functions for Advanced Protein-Ligand Docking with PLANTS

Their papers

• Pocketome via Comprehensive Identification and Classification of Ligand Binding Envelopes* (2005) — 395 citations
• Docking and scoring with ICM: the benchmarking results and strategies for improvement (2012) — 350 citations
• Comparative study of several algorithms for flexible ligand docking (2003) — 341 citations
• Ligand-biased ensemble receptor docking (LigBEnD): a hybrid ligand/receptor structure-based approach (2017) — 42 citations
• Broad-spectrum cyclic boronate β-lactamase inhibitors featuring an intramolecular prodrug for oral bioavailability. (2022) — 6 citations
• Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3 (2018) — 22 citations
• Homology modeling by the ICM method (1995)
• ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation (1994)