Vojtěch Spiwok

University of Chemistry and Technology, Prague — Czech Republic

Biochemistry, Genetics and Molecular Biology · Life Sciences

27h-index3.5kcitations160works4.82yr avg
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Research Topics

Protein Structure and Dynamics(37), Glycosylation and Glycoproteins Research(25), Carbohydrate Chemistry and Synthesis(17), Enzyme Structure and Function(17), Enzyme Production and Characterization(15)

Publications159 total

Allosteric Inhibitors of SARS‐CoV‐2 RNA‐Dependent RNA Polymerase Based on <i>N</i> , <i>N′</i> ‐Diphenylurea
ChemMedChem·2025Open Access
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein
UNC Libraries·2025Open Access
Design of proteins by parallel tempering in the sequence space
Protein Science·2025Open Access
Design of proteins by parallel tempering in the sequence space
2025Open Access
PLUMED Tutorials: A collaborative, community-driven learning ecosystem
The Journal of Chemical Physics·2025· 24 citedOpen Access
ELIXIR CZ Structural bioinformatics
Faculty of 1000 Research Ltd·2025Open Access
PLUMED Tutorials: a collaborative, community-driven learning ecosystem
Research Portal (Queen's University Belfast)·2024· 2 citedOpen Access
CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein
Journal of Chemical Information and Modeling·2024· 23 citedOpen Access
Analysis of metadynamics simulations by metadynminer.py
Bioinformatics·2024· 1 citedOpen Access
Developing Allosteric Inhibitors of SARS‐CoV‐2 RNA‐Dependent RNA Polymerase
ChemMedChem·2024· 3 citedOpen Access
CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein
2024· 5 citedOpen Access
Uncertainties of predictions from temperature replica exchange simulations
The Journal of Chemical Physics·2024· 1 citedOpen Access
Synthesis and unexpected binding of monofluorinated N,Nʹ-diacetylchitobiose and LacdiNAc to wheat germ agglutinin
Bioorganic Chemistry·2024· 2 cited
Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics
The Journal of Physical Chemistry B·2024· 6 citedOpen Access
Editorial for European Symposium on Analytical Spectrometry and Czech-Slovak Spectroscopic Conference
Chemical Papers·2023Open Access
Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Acceleration of Molecular Simulations by Parametric Time-Lagged tSNE Metadynamics - 2
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
2,6-Disubstituted 7-(naphthalen-2-ylmethyl)-7H-purines as a new class of potent antitubercular agents inhibiting DprE1
European Journal of Medicinal Chemistry·2023· 16 citedOpen Access
Hypolipidemic Activity of Sesquiterpene Lactones and their Derivatives
Open Access Macedonian Journal of Medical Sciences·2023Open Access
Free Energy Differences from Molecular Simulations: Exact Confidence Intervals from Transition Counts
Journal of Chemical Theory and Computation·2023· 4 citedOpen Access
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Frequent Co-authors

Blanka Králová(15), Petra Lipovová(9), Igor Tvaroška(6), Tereza Skálová(4), Jan Dohnálek(4), Jindřich Hašek(4), Petr Hošek(3), Jiří Bejček(3), Silvie Rimpelová(3), Nicholas J. Russell(3), Pavel Hobza(3), Vladimı́r Křen(3), Michal Jurášek(3), Tomáš Ruml(3), Massimiliano Bonomi(2), Giovanni Bussi(2), Carlo Camilloni(2), Gareth A. Tribello(2), Pavel Banáš(2), Mattia Bernetti(2)