Molecular Simulations and Markov State Modeling Reveal the Structural Diversity and Dynamics of a Theophylline-Binding RNA Aptamer in Its Unbound State

PLoS ONE- United States

doi 10.1371/journal.pone.0176229

Full Text

Abstract

Available in

Date

Authors

Publisher

Public Library of Science (PLoS)

Related search

Molecular Dynamics Simulations Reveal an Interplay Between SHAPE Reagent Binding and RNA Flexibility

English

Molecular Dynamics Simulation and Markov State Model Reveal Irregular Metastable Conformation and Allostery in DNAJB-PKAc

Biophysical Journal
Biophysics
2016English

Structural Insights Into the Osteopontin-Aptamer Complex by Molecular Dynamics Simulations

Frontiers in Chemistry
Chemistry
2018English

Optimal Control of Molecular Dynamics Using Markov State Models

Mathematical Programming, Series B
MathematicsSoftware
2012English

RNA Structural Dynamics as Captured by Molecular Simulations: A Comprehensive Overview

Chemical Reviews
Chemistry
2018English

Transfer RNA in the Hybrid P/E State: Correlating Molecular Dynamics Simulations With Cryo-Em Data

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
2007English

Molecular Dynamics Simulations of Colloids in Single Solid-State Nanopores

Biophysical Journal
Biophysics
2014English

Molecular Dynamics Simulations of Protein Folding From the Transition State

Proceedings of the National Academy of Sciences of the United States of America
Multidisciplinary
2002English

Molecular Dynamic Simulations Reveal the Structural Determinants of Fatty Acid Binding to Oxy-Myoglobin

PLoS ONE
Multidisciplinary
2015English

Amanote Research

Note-taking for researchers

Follow Amanote

© 2026 Amaplex Software S.P.R.L. All rights reserved.

Privacy PolicyRefund Policy