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Yuan Hu

7PUBLICATIONS

8CO-AUTHORS

Biomolecular modelling and designComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Bioinformatic methods developmentFormal methods for softwareStatistical mechanics in chemistry

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Publications (7)

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|Mar 16, 2023

Recent Advances in Alchemical Binding Free Energy Calculations for Drug Discovery.

Ingo Muegge, Yuan Hu

|Sep 02, 2022

In Silico Positional Analogue Scanning with Amber GPU-TI.

Yuan Hu, Ingo Muegge

|Apr 22, 2018

Uncertainty Quantification in Alchemical Free Energy Methods.

Agastya P Bhati, Shunzhou Wan, Yuan Hu

|Oct 08, 2017

Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort.

Ying-Duo Gao, Yuan Hu, Alejandro Crespo

|Sep 16, 2017

Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016.

Xavier Fradera, Andreas Verras, Yuan Hu

|Jun 16, 2017

Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration.

Tai-Sung Lee, Yuan Hu, Brad Sherborne

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Frequent Collaborators

2 joint publications

Ingo Muegge

1 joint publications

Brad Sherborne

1 joint publications

Darrin M York

1 joint publications

Xavier Fradera

1 joint publications

Andreas Verras

1 joint publications

Agastya P Bhati

1 joint publications

Shunzhou Wan

1 joint publications

Peter V Coveney

Frequent Collaborators

2 joint publications

Ingo Muegge

1 joint publications

Brad Sherborne

1 joint publications

Darrin M York

1 joint publications

Xavier Fradera

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