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Journal Articles
- 2022
[j4]Jirí Fukal
, Milos Budesínský, Ondrej Páv, Petr Jurecka, Marie Zgarbová, Jakub Sebera, Vladimír Sychrovský:
The Ad-MD method to calculate NMR shift including effects due to conformational dynamics: The 31P NMR shift in DNA. J. Comput. Chem. 43(2): 132-143 (2022)- 2017
- [j3]Marie Zgarbová, Petr Jurecka, Filip Lankas, Thomas E. Cheatham III, Jirí Sponer, Michal Otyepka:
Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences. J. Chem. Inf. Model. 57(2): 275-287 (2017) - 2015
- [j2]Marie Zgarbová, Andreana M. Rosnik, F. Javier Luque, Carles Curutchet, Petr Jurecka:
Transferability and additivity of dihedral parameters in polarizable and nonpolarizable empirical force fields. J. Comput. Chem. 36(25): 1874-1884 (2015) - 2007
- [j1]Petr Jurecka, Jirí Cerný, Pavel Hobza, Dennis R. Salahub:
Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations. J. Comput. Chem. 28(2): 555-569 (2007)
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