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
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