E-LIB Suche - Ergebnisse für: Jurečka, Petr

1

Multistate B- to A- transition in protein-DNA Binding – How..:

Jurečka, Petr ; Zgarbová, Marie ; Černý, Filip.
Journal of Biomolecular Structure and Dynamics. , 2024

Link: https://doi.org/10.1080/..

2

Dynamic and Nondynamic Electron Correlation Energy Decompos..:

Šulka, Martin ; Šulková, Katarína ; Jurečka, Petr.
Journal of Chemical Theory and Computation. , 2023

Link: https://doi.org/10.1021/..

3

Assessing the Current State of Amber Force Field Modificati..:

Love, Olivia ; Galindo-Murillo, Rodrigo ; Zgarbová, Marie...
Journal of Chemical Theory and Computation. 19 (2023) 13 - p. 4299-4307 , 2023

Link: https://doi.org/10.1021/..

4

Probabilistic Interpretation of NMR J-Couplings Determines ..:

Fukal, Jiří ; Zgarbová, Marie ; Jurečka, Petr..
Journal of Chemical Theory and Computation. 18 (2022) 11 - p. 6989-6999 , 2022

Link: https://doi.org/10.1021/..

5

The Ad‐MD method to calculate NMR shift including effects d..:

Fukal, Jiří ; Buděšínský, Miloš ; Páv, Ondřej...
Journal of Computational Chemistry. 43 (2021) 2 - p. 132-143 , 2021

Link: https://doi.org/10.1002/..

6

Conformational energies and equilibria of cyclic dinucleoti..:

Gutten, Ondrej ; Jurečka, Petr ; Aliakbar Tehrani, Zahra...
Physical Chemistry Chemical Physics. 23 (2021) 12 - p. 7280-7294 , 2021

Link: https://doi.org/10.1039/..

7

Z-DNA as a Touchstone for Additive Empirical Force Fields a..:

Zgarbová, Marie ; Šponer, Jiří ; Jurečka, Petr
Journal of Chemical Theory and Computation. 17 (2021) 10 - p. 6292-6301 , 2021

Link: https://doi.org/10.1021/..

8

Toward Accurate Hydrogen Bonds by Scalable Quantum Monte Ca..:

Dubecký, Matúš ; Jurečka, Petr ; Mitas, Lubos..
Journal of Chemical Theory and Computation. 15 (2019) 6 - p. 3552-3557 , 2019

Link: https://doi.org/10.1021/..

9

RNA Structural Dynamics As Captured by Molecular Simulation..:

Šponer, Jiří ; Bussi, Giovanni ; Krepl, Miroslav...
Chemical Reviews. 118 (2018) 8 - p. 4177-4338 , 2018

Link: https://doi.org/10.1021/..

10

Adsorption of Organic Molecules to van der Waals Materials:..:

Karlický, František ; Otyepková, Eva ; Lo, Rabindranath...
Journal of Chemical Theory and Computation. 13 (2017) 3 - p. 1328-1340 , 2017

Link: https://doi.org/10.1021/..

11

Mapping the Chemical Space of the RNA Cleavage and Its Impl..:

Mlýnský, Vojtěch ; Kührová, Petra ; Jurečka, Petr...
The Journal of Physical Chemistry B. 121 (2017) 48 - p. 10828-10840 , 2017

Link: https://doi.org/10.1021/..

12

Noncanonical α/γ Backbone Conformations in RNA and the Accu..:

Zgarbová, Marie ; Jurečka, Petr ; Banáš, Pavel...
The Journal of Physical Chemistry B. 121 (2017) 11 - p. 2420-2433 , 2017

Link: https://doi.org/10.1021/..

13

Influence of BII Backbone Substates on DNA Twist: A Unified..:

Zgarbová, Marie ; Jurečka, Petr ; Lankaš, Filip...
Journal of Chemical Information and Modeling. 57 (2017) 2 - p. 275-287 , 2017

Link: https://doi.org/10.1021/..

14

A- to B-DNA Transition in AMBER Force Fields and Its Coupli..:

Zgarbová, Marie ; Jurečka, Petr ; Šponer, Jiří.
Journal of Chemical Theory and Computation. 14 (2017) 1 - p. 319-328 , 2017

Link: https://doi.org/10.1021/..

15

Noncovalent Interactions by Quantum Monte Carlo:

Dubecký, Matúš ; Mitas, Lubos ; Jurečka, Petr
Chemical Reviews. 116 (2016) 9 - p. 5188-5215 , 2016

Link: https://doi.org/10.1021/..