Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

PDF) Exploring RNA structure and dynamics through enhanced sampling simulations

Publications — Simmerling Lab

RNA Structural Dynamics As Captured by Molecular Simulations: A Comprehensive Overview. - Abstract - Europe PMC

Clustering algorithms to analyze molecular dynamics simulation trajectories for complex chemical and biological systems

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

Frontiers Computational Modeling as a Tool to Investigate PPI: From Drug Design to Tissue Engineering

June 2023 Undergraduate Research & Creative Activities

Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

Accelerating the Ensemble Convergence of RNA Hairpin Simulations with a Replica Exchange Structure Reservoir

A two-dimensional replica-exchange molecular dynamics method for simulating RNA folding using sparse experimental restraints - ScienceDirect

Capturing RNA Folding Free Energy with Coarse-Grained Molecular Dynamics Simulations

View - ResearchGate

Molecular basis for the increased affinity of an RNA recognition motif with re-engineered specificity: A molecular dynamics and enhanced sampling simulations study