Marek Havrila

Molecular Dynamics Simulations of Nucleic Acids. From Tetranucleotides to the Ribosome

Pavel Banáš, Petr Jurečka, Marie Zgarbová et al. · The Journal of Physical Chemistry Letters · 2014 · 164 citations

From Tetranucleotides, Engineering, Limited Time Scale +16

Can We Execute Stable Microsecond-Scale Atomistic Simulations of Protein–RNA Complexes?

Miroslav Krepl, Marek Havrila, Petr Stadlbauer et al. · Journal of Chemical Theory and Computation · 2015 · 72 citations

Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes

Marek Havrila, Petr Stadlbauer, Barira Islam et al. · Journal of Chemical Theory and Computation · 2017 · 61 citations

QM Computations on Complete Nucleic Acids Building Blocks: Analysis of the Sarcin–Ricin RNA Motif Using DFT-D3, HF-3c, PM6-D3H, and MM Approaches

Holger Kruse, Marek Havrila, Jiřı́ Šponer · Journal of Chemical Theory and Computation · 2014 · 37 citations

Qm Computations, Structural Bioinformatics, Biomolecular Structure Prediction +25

Structural dynamics of propeller loop: towards folding of RNA G-quadruplex

Marek Havrila, Petr Stadlbauer, Petra Kührová et al. · Nucleic Acids Research · 2018 · 37 citations · Full text

Protein Assembly, Molecular Biology, Unfolding Pathways +20