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List of works by Petr Jurečka

A- to B-DNA Transition in AMBER Force Fields and Its Coupling to Sugar Pucker

scientific article published on 5 December 2017

Adsorption of Organic Molecules to van der Waals Materials: Comparison of Fluorographene and Fluorographite with Graphene and Graphite.

scientific article

Influence of BII Backbone Substates on DNA Twist: A Unified View and Comparison of Simulation and Experiment for All 136 Distinct Tetranucleotide Sequences.

scientific article published on 06 January 2017

Large-scale compensation of errors in pairwise-additive empirical force fields: comparison of AMBER intermolecular terms with rigorous DFT-SAPT calculations

article published in 2010

Mapping the Chemical Space of the RNA Cleavage and Its Implications for Ribozyme Catalysis.

scientific article published on 8 November 2017

Quantum Monte Carlo Methods Describe Noncovalent Interactions with Subchemical Accuracy

scientific article published on 6 September 2013

Quantum Monte Carlo for noncovalent interactions: an efficient protocol attaining benchmark accuracy ⬇️

scientific article published on 29 August 2014

RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview.

scientific article published on 3 January 2018

Toward Accurate Hydrogen Bonds by Scalable Quantum Monte Carlo

scientific article published on 07 May 2019

Z-DNA as a Touchstone for Additive Empirical Force Fields and a Refinement of the Alpha/Gamma DNA Torsions for AMBER

scientific article published on 28 September 2021

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