List of works - Charles Lin - Paulina

List of works by Charles Lin

Accounting for the Central Role of Interfacial Water in Protein-Ligand Binding Free Energy Calculations

scientific article published on 18 November 2020

Fast Equilibration of Water between Buried Sites and the Bulk by Molecular Dynamics with Parallel Monte Carlo Water Moves on Graphical Processing Units

scientific article published on 11 November 2021

GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

scientific article published on 25 September 2018

Improved Alchemical Free Energy Calculations with Optimized Smoothstep Softcore Potentials

scientific article published on 16 July 2020

Simulating Water Exchange to Buried Binding Sites

scientific article published on 13 March 2019

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