Charles Lin

5PUBLICATIONS
12CO-AUTHORS
Transport properties and non-equilibrium processesBiomolecular modelling and designChemical and thermal processes in energy and combustionComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)
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Publications (5)

|Nov 11, 2021
Fast Equilibration of Water between Buried Sites and the Bulk by Molecular Dynamics with Parallel Monte Carlo Water Moves on Graphical Processing Units.

Ido Y Ben-Shalom, Charles Lin, Brian K Radak

|Nov 18, 2020
Accounting for the Central Role of Interfacial Water in Protein-Ligand Binding Free Energy Calculations.

Ido Y Ben-Shalom, Zhixiong Lin, Brian K Radak

|Jul 17, 2020
Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials.

Tai-Sung Lee, Zhixiong Lin, Bryce K Allen

|Mar 06, 2019
Simulating Water Exchange to Buried Binding Sites.

Ido Y Ben-Shalom, Charles Lin, Tom Kurtzman

|Sep 11, 2018
GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features.

Tai-Sung Lee, David S Cerutti, Dan Mermelstein

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Frequent Collaborators

3 joint publications

Ido Y Ben-Shalom

3 joint publications

Michael K Gilson

3 joint publications

Brian K Radak

3 joint publications

Woody Sherman