Bartłomiej Surpeta
Bartłomiej Surpeta
International Institute of Molecular and Cell Biology in Warsaw
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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
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
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
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
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
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
Incorporating prior knowledge to seeds of adaptive sampling molecular dynamics simulations of ligand transport in enzymes with buried active sites
DK Sarkar, B Surpeta, J Brezovsky
bioRxiv, 2023.09. 21.558608, 2023
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 Palyzova, H Maresova, J Zahradnik, J Brezovsky
bioRxiv, 2023.05. 09.538545, 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
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