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List of works by Trung Hai Nguyen

Absolute Binding Free Energies between T4 Lysozyme and 141 Small Molecules: Calculations Based on Multiple Rigid Receptor Configurations.

scientific article published on 21 April 2017

Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding Affinity

scientific article published on 07 January 2020

Bayesian analysis of isothermal titration calorimetry for binding thermodynamics

scientific article published in PLoS ONE

Correction to Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange

scientific article published on 31 May 2018

Implicit ligand theory for relative binding free energies

scientific article published in March 2018

Interfacial water molecules at biological membranes: Structural features and role for lateral proton diffusion.

scientific article

Intermediate Thermodynamic States Contribute Equally to Free Energy Convergence: A Demonstration with Replica Exchange

scientific article published on 21 April 2016

Molecular Recognition of Platinated DNA from Chromosomal HMGB1.

scientific article published on 10 July 2014

Nonequilibrium path-ensemble averages for symmetric protocols

scientific article published on 01 November 2019

Origin of proton affinity to membrane/water interfaces

scientific article published on 3 July 2017

Oversampling Free Energy Perturbation Simulation in Determination of the Ligand-Binding Free Energy

scientific article published on 16 December 2019

Platination of the copper transporter ATP7A involved in anticancer drug resistance

scientific article published in August 2014

Structural Determinants of Cisplatin and Transplatin Binding to the Met-Rich Motif of Ctr1: A Computational Spectroscopy Approach

scientific article

Structural biology of cisplatin complexes with cellular targets: the adduct with human copper chaperone atox1 in aqueous solution.

scientific article published on 8 August 2014

Using the fast fourier transform in binding free energy calculations

scientific article published on 22 December 2017

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