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Journal of Cheminformatics
|
July 1, 2021
Optimized SQE atomic charges for peptides accessible via a web application
Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, et al.
Journal of Cheminformatics
|
July 15, 2021
Correction to: Optimized SQE atomic charges for peptides accessible via a web application
Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, et al.
Nucleic Acids Research
|
May 14, 2020
Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges
Tomáš Raček, Ondřej Schindler, Dominik Toušek, et al.
Nucleic Acids Research
|
April 27, 2026
Atomic Charge Calculator III: a modern platform for calculating partial atomic charges
Tomáš Raček, Martin Pilát, Ondřej Schindler, et al.
Nucleic Acids Research
|
May 9, 2023
αCharges: partial atomic charges for AlphaFold structures in high quality
Ondřej Schindler, Karel Berka, Alessio Cantara, et al.
Nucleic Acids Research
|
May 10, 2025
PDBCharges: Quantum-Mechanical Partial Atomic Charges for PDB Structures
Ondřej Schindler, Tomáš Svoboda, Adrián Rošinec, et al.
Journal of Cheminformatics
|
January 10, 2026
Analysis of cyclohexane, cyclopentane, and benzene conformations in ligands for PDB X-ray structures using the Hill-Reilly approach
Gabriela Bučeková, Viktoriia Doshchenko, Tomáš Svoboda, et al.
Nucleic Acids Research
|
May 20, 2026
PROPTIMUS LIVE: local constrained α-carbon optimization of proteins
Tomáš Svoboda, Michal Mikuš, Lukáš Bohuš, et al.
Bioinformatics (Oxford, England)
|
September 3, 2025
MOLEonline: a web-based tool for analysing channels, tunnels and pores (2025 update)
Tomáš Raček, Dušan Veľký, Gabriela Bučeková, et al.
Journal of Cheminformatics
|
October 24, 2025
Gromacs MetaDump: a tool for extracting GROMACS simulation metadata
Adrián Rošinec, Terézia Slanináková, Tomáš Pavlík, et al.
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Showing results (1-10 of 10) with videos related to
Sort By:
Page
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Journal of Cheminformatics
|
July 1, 2021
Optimized SQE atomic charges for peptides accessible via a web application
Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, et al.
Journal of Cheminformatics
|
July 15, 2021
Correction to: Optimized SQE atomic charges for peptides accessible via a web application
Ondřej Schindler, Tomáš Raček, Aleksandra Maršavelski, et al.
Nucleic Acids Research
|
May 14, 2020
Atomic Charge Calculator II: web-based tool for the calculation of partial atomic charges
Tomáš Raček, Ondřej Schindler, Dominik Toušek, et al.
Nucleic Acids Research
|
April 27, 2026
Atomic Charge Calculator III: a modern platform for calculating partial atomic charges
Tomáš Raček, Martin Pilát, Ondřej Schindler, et al.
Nucleic Acids Research
|
May 9, 2023
αCharges: partial atomic charges for AlphaFold structures in high quality
Ondřej Schindler, Karel Berka, Alessio Cantara, et al.
Nucleic Acids Research
|
May 10, 2025
PDBCharges: Quantum-Mechanical Partial Atomic Charges for PDB Structures
Ondřej Schindler, Tomáš Svoboda, Adrián Rošinec, et al.
Journal of Cheminformatics
|
January 10, 2026
Analysis of cyclohexane, cyclopentane, and benzene conformations in ligands for PDB X-ray structures using the Hill-Reilly approach
Gabriela Bučeková, Viktoriia Doshchenko, Tomáš Svoboda, et al.
Nucleic Acids Research
|
May 20, 2026
PROPTIMUS LIVE: local constrained α-carbon optimization of proteins
Tomáš Svoboda, Michal Mikuš, Lukáš Bohuš, et al.
Bioinformatics (Oxford, England)
|
September 3, 2025
MOLEonline: a web-based tool for analysing channels, tunnels and pores (2025 update)
Tomáš Raček, Dušan Veľký, Gabriela Bučeková, et al.
Journal of Cheminformatics
|
October 24, 2025
Gromacs MetaDump: a tool for extracting GROMACS simulation metadata
Adrián Rošinec, Terézia Slanináková, Tomáš Pavlík, et al.
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