Pavlína Pokorná

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 7

Top Topics

Machine Learning

Molecular Dynamics

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

The journal of physical chemistry. B

This page only lists publications with an associated author ORCID identifier.

Publications

Jana Aupič, Pavlína Pokorná, Sharon Ruthstein, Alessandra Magistrato
Predicting Conformational Ensembles of Intrinsically Disordered Proteins: From Molecular Dynamics to Machine Learning. The journal of physical chemistry letters 15 (32) (2024)
Jana Aupič, Pavlína Pokorná, Sharon Ruthstein, Alessandra Magistrato
Predicting Conformational Ensembles of Intrinsically Disordered Proteins: From Molecular Dynamics to Machine Learning. The journal of physical chemistry letters (2024)
Pavlína Pokorná, Miroslav Krepl, Sébastien Campagne, Jiřı Šponer
Conformational Heterogeneity of RNA Stem-Loop Hairpins Bound to FUS-RNA Recognition Motif with Disordered RGG Tail Revealed by Unbiased Molecular Dynamics Simulations. The journal of physical chemistry. B 126 (45) (2022)
Miroslav Krepl, Fred Franz Damberger, Christine von Schroetter, Dominik Theler, Pavlína Pokorná, Frédéric H-T Allain, Jiřı Šponer
Recognition of N6-Methyladenosine by the YTHDC1 YTH Domain Studied by Molecular Dynamics and NMR Spectroscopy: The Role of Hydration. The journal of physical chemistry. B 125 (28) (2021)
Pavlína Pokorná, Miroslav Krepl, Eva Bártová, Jiřı Šponer
Role of Fine Structural Dynamics in Recognition of Histone H3 by HP1γ(CSD) Dimer and Ability of Force Fields to Describe Their Interaction Network. Journal of chemical theory and computation 15 (10) (2019)
Pavlína Pokorná, Holger Kruse, Miroslav Krepl, Jiřı Šponer
QM/MM Calculations on Protein-RNA Complexes: Understanding Limitations of Classical MD Simulations and Search for Reliable Cost-Effective QM Methods. Journal of chemical theory and computation 14 (10) (2018)
Pavlína Pokorná, Miroslav Krepl, Holger Kruse, Jiří Šponer
MD and QM/MM Study of the Quaternary HutP Homohexamer Complex with mRNA, l-Histidine Ligand, and Mg2. Journal of chemical theory and computation 13 (11) (2017)