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Force field
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Mgr. Dávid Jakubec Ph.D.
External academic staff at Faculty of Science
14 publications
Publications
publication
Efficient Estimation of Absolute Binding Free Energy for a Homeodomain-DNA Complex from Nonequilibrium Pulling Simulations
2020 |
Faculty of Science, Central Library of Charles University
publication
Can All-Atom Molecular Dynamics Simulations Quantitatively Describe Homeodomain-DNA Binding Equilibria?
2019 |
Faculty of Science, Central Library of Charles University
publication
Amino Acid Interaction (INTAA) web server
2017 |
Faculty of Science, Central Library of Charles University
publication
Sequence-Specific Recognition of DNA by Proteins: Binding Motifs Discovered Using a Novel Statistical/Computational Analysis
2016 |
Faculty of Science
publication
Representative Amino Acid Side-Chain Interactions in Protein-DNA Complexes: A Comparison of Highly Accurate Correlated Ab Initio Quantum Mechanical Calculations and Efficient Approaches for Applications to Large Systems
2015 |
Faculty of Science
publication
TLR8/TLR7 dysregulation due to a novel TLR8 mutation causes severe autoimmune hemolytic anemia and autoinflammation in identical twins
2022 |
Faculty of Mathematics and Physics, First Faculty of Medicine, Second Faculty of Medicine
publication
PrankWeb 3: accelerated ligand-binding site predictions for experimental and modelled protein structures
2022 |
Faculty of Science, Faculty of Mathematics and Physics
publication
PDBe-KB: collaboratively defining the biological context of structural data
2022 |
Faculty of Mathematics and Physics
publication
Amino Acid Interactions (INTAA) web server v2.0: a single service for computation of energetics and conservation in biomolecular 3D structures
2021 |
Faculty of Mathematics and Physics
publication
Membrane Protein Dimerization in Cell-Derived Lipid Membranes Measured by FRET with MC Simulations
2020 |
Faculty of Science, Central Library of Charles University, Faculty of Physical Education and Sport
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