Xiaorong Liu

7PUBLICATIONS
70CO-AUTHORS
Supramolecular chemistryComputational complexity and computabilityAtomic and molecular physicsBiomolecular modelling and designReaction kinetics and dynamics
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Publications (7)

|Jul 29, 2026
Surface electrostatic networks control hydrophobic core remodeling in a pH-dependent switching protein.

|Sep 20, 2024
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed.

Wonmuk Hwang, Steven L Austin, Arnaud Blondel

|Jan 17, 2024
Enhanced Sampling of Buried Charges in Free Energy Calculations Using Replica Exchange with Charge Tempering.

Xiaorong Liu, Charles L Brooks Iii

|Jun 02, 2023
pyCHARMM: Embedding CHARMM Functionality in a Python Framework.

Joshua Buckner, Xiaorong Liu, Arghya Chakravorty

|Feb 15, 2023
Re-Balancing Replica Exchange with Solute Tempering for Sampling Dynamic Protein Conformations.

Yumeng Zhang, Xiaorong Liu, Jianhan Chen

|Sep 09, 2022
Toward Accurate Coarse-Grained Simulations of Disordered Proteins and Their Dynamic Interactions.

Yumeng Zhang, Xiaorong Liu, Jianhan Chen

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Frequent Collaborators

4 joint publications

Charles L Brooks Iii

3 joint publications

Jianhan Chen

2 joint publications

Yumeng Zhang

1 joint publications

Arghya Chakravorty