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Popov

Prof. Dr. Petr Popov

Adjunct Professor of Applied Mathematics
School of Science
Constructor University Bremen gGmbH  
Campus Ring 1 | 28759 Bremen | Germany
Phone number
+49 421 200-3273
Fax number
+49 421 200-3249
Email Address
ppopov@constructor.university
Office
Research II, Room 125
Research Interests
  • Machine learning applied for molecular structures

  • Computational biomolecular modelling and design

  • Computer-aided drug discovery

Selected Publications

Crystal Structure of the Human Cannabinoid Receptor CB2

X Li, T Hua, K Vemuri, JH Ho, Y Wu, L Wu, P Popov, O Benchama, ...

Cell 176 (3), 459-467. e13

5-HT2C Receptor Structures Reveal the Structural Basis of GPCR Polypharmacology

Y Peng, JD McCorvy, K Harpsøe, K Lansu, S Yuan, P Popov, L Qu, M Pu, ...

Cell 172 (4), 719-730. e14

Prediction of homoprotein and heteroprotein complexes by protein docking and template‐based modeling: A CASP‐CAPRI experiment

MF Lensink, S Velankar, A Kryshtafovych, SY Huang, ...

Proteins: Structure, Function, and Bioinformatics 84, 323-348

Native phasing of x-ray free-electron laser data for a G protein–coupled receptor

A Batyuk, L Galli, A Ishchenko, GW Han, C Gati, PA Popov, MY Lee, ...

Science advances 2 (9), e1600292

Community‐wide evaluation of methods for predicting the effect of mutations on protein–protein interactions

R Moretti, SJ Fleishman, R Agius, M Torchala, PA Bates, PL Kastritis, ...

Proteins: Structure, Function, and Bioinformatics 81 (11), 1980-1987

Crystal structure of the Frizzled 4 receptor in a ligand-free state

S Yang, Y Wu, TH Xu, PW de Waal, Y He, M Pu, Y Chen, ZJ DeBruine, ...

Nature 560 (7720), 666-670

graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein–Ligand Complexes

DS Karlov, S Sosnin, MV Fedorov, P Popov

ACS omega 5 (10), 5150-5159

Structure-based mechanism of cysteinyl leukotriene receptor inhibition by antiasthmatic drugs

A Luginina, A Gusach, E Marin, A Mishin, R Brouillette, P Popov, ...

Science Advances 5 (10), eaax2518

Computational design of thermostabilizing point mutations for G protein-coupled receptors

P Popov, Y Peng, L Shen, RC Stevens, V Cherezov, ZJ Liu, V Katritch

eLife 7, e34729

Spatiotemporal identification of druggable binding sites using deep learning

I Kozlovskii, P Popov

Communications biology 3 (1), 618

Structural basis of ligand selectivity and disease mutations in cysteinyl leukotriene receptors

A Gusach, A Luginina, E Marin, RL Brouillette, É Besserer-Offroy, ...

Nature communications 10 (1), 5573

Crystal structure of misoprostol bound to the labor inducer prostaglandin E 2 receptor

M Audet, KL White, B Breton, B Zarzycka, GW Han, Y Lu, C Gati, A Batyuk, ...

Nature chemical biology 15 (1), 11-17

PEPSI-Dock: a detailed data-driven protein–protein interaction potential accelerated by polar Fourier correlation

E Neveu, DW Ritchie, P Popov, S Grudinin

Bioinformatics 32 (17), i693-i701

Rapid determination of RMSDs corresponding to macromolecular rigid body motions

P Popov, S Grudinin

Journal of computational chemistry 35 (12), 950-956

Protein–Peptide Binding Site Detection Using 3D Convolutional Neural Networks

I Kozlovskii, P Popov

Journal of Chemical Information and Modeling 61 (8), 3814-3823

Knowledge of Native Protein–Protein Interfaces Is Sufficient To Construct Predictive Models for the Selection of Binding Candidates

P Popov, S Grudinin

Journal of chemical information and modeling 55 (10), 2242-2255

Molecular mechanism of biased signaling at the kappa opioid receptor

A El Daibani, JM Paggi, K Kim, YD Laloudakis, P Popov, SM Bernhard, ...

Nature Communications 14 (1), 1338

Prediction of disease-associated mutations in the transmembrane regions of proteins with known 3D structure

P Popov, I Bizin, M Gromiha, A Kulandaisamy, D Frishman

PloS one 14 (7), e0219452

DockTrina: Docking triangular protein trimers

P Popov, DW Ritchie, S Grudinin

Proteins: Structure, Function, and Bioinformatics 82 (1), 34-44

Mutations in transmembrane proteins: diseases, evolutionary insights, prediction and comparison with globular proteins

J Zaucha, M Heinzinger, A Kulandaisamy, E Kataka, ÓL Salvádor, ...

Briefings in Bioinformatics 22 (3), bbaa132

 

Publications on Scopus
Zaretckii, M. Buslaev, P. Kozlovskii, I. Morozov, A. Popov, P.
ACS Synthetic Biology 2024
Mqawass, G. Popov, P.
Journal of Chemical Information and Modeling 2024 64 (7) pp. 2323-2330
Popov, P. Kalinin, R. Buslaev, P. Kozlovskii, I. Zaretckii, M. Karlov, D. Gabibov, A. Stepanov, A.
Briefings in Bioinformatics 2024 25 (1)