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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)

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|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

2 joint publications

Tai-Sung Lee

2 joint publications

Darrin M York

1 joint publications

Adrian Roitberg

1 joint publications

David A Case

1 joint publications

Tom Kurtzman

1 joint publications

Bryce K Allen

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

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