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Bartłomiej Surpeta
Bartłomiej Surpeta
International Institute of Molecular and Cell Biology in Warsaw
Verified email at iimcb.gov.pl
Title
Cited by
Cited by
Year
Recent advances in user-friendly computational tools to engineer protein function
CE Sequeiros-Borja, B Surpeta, J Brezovsky
Briefings in Bioinformatics 22 (3), bbaa150, 2021
572021
Dynamics, a powerful component of current and future in silico approaches for protein design and engineering
B Surpeta, CE Sequeiros-Borja, J Brezovsky
International Journal of Molecular Sciences 21 (8), 2713, 2020
222020
TransportTools: A library for high-throughput analyses of internal voids in biomolecules and ligand transport through them
J Brezovsky, AS Thirunavukarasu, B Surpeta, CE Sequeiros-Borja, ...
Bioinformatics 38 (6), 1752-1753, 2022
132022
Reinforcing Tunnel Network Exploration in Proteins Using Gaussian Accelerated Molecular Dynamics
N Mandal, B Surpeta, J Brezovsky
Journal of Chemical Information and Modeling 64 (16), 6623-6635, 2024
42024
Water will find its way: transport through narrow tunnels in hydrolases
C Sequeiros-Borja, B Surpeta, AS Thirunavukarasu, ...
Journal of Chemical Information and Modeling, 2024
42024
Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations
C Sequeiros-Borja, B Surpeta, I Marchlewski, J Brezovsky
MethodsX 10, 101968, 2023
42023
Common dynamic determinants govern quorum quenching activity in N-terminal serine hydrolases
B Surpeta, M Grulich, A Palyzová, H Marešová, J Brezovsky
ACS Catalysis 12 (11), 6359-6374, 2022
42022
Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites
DK Sarkar, B Surpeta, J Brezovsky
Journal of Chemical Theory and Computation 20 (14), 5807-5819, 2024
32024
Quorum Quenching Enzymes-Understanding Molecular Determinants Responsible for Activity of N-Terminal Serine Hydrolases to Increase their Strong Antibacterial Potency
B Surpeta, M Grulich, J Brezovsky
Biophysical Journal 120 (3), 305a, 2021
32021
Computational Tools for Structural Analysis of Proteins
J Brezovsky, A Sethi, B Surpeta
Elsevier, 2024
12024
Benchmarking coarse-grained simulation methods for investigation of transport tunnels in enzymes
N Mandal, JA Stevens, AB Poma, B Surpeta, C Sequeiros-Borja, ...
bioRxiv, 2024.09. 16.613244, 2024
2024
Rational engineering of binding pocket’s structure and dynamics in penicillin G acylase for selective degradation of bacterial signaling molecules
M Grulich, B Surpeta, A Palyzová, H Marešová, J Zahradník, J Brezovsky
bioRxiv, 2023.05. 09.538545, 2023
2023
Deciphering rare opening of gates in ligand-transport tunnels of enzymes using enhanced molecular dynamics simulations
N Mandal, B Surpeta, J Brezovsky
FEBS OPEN BIO 12, 249-249, 2022
2022
Engineering dynamic gates in binding pocket of penicillin G acylase to selectively degrade bacterial signaling molecules
M Grulich, B Surpeta, A Palyzová, H Marešová, J Zahradník, J Brezovsky
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Articles 1–14