Yuan Hu

ORCID

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 7

Top Venues

Journal of computer-aided molecular design

Journal of chemical theory and computation

Journal of chemical information and modeling

ACS medicinal chemistry letters

Alkermes Inc

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Alkermes Inc Nov 15 2017

United States

Sr. Scientist :: Modeling & Informatics

Merck and Co Inc Kenilworth Jun 15 2015 - Nov 15 2017

United States

Research Assoc. Scientist :: Department of Structure Chemistry

Publications

Ingo Muegge, Yuan Hu
Recent Advances in Alchemical Binding Free Energy Calculations for Drug Discovery. ACS medicinal chemistry letters 14 (3) (2023)
Yuan Hu, Ingo Muegge
In Silico Positional Analogue Scanning with Amber GPU-TI. Journal of chemical information and modeling 62 (18) (2022)
Agastya P Bhati, Shunzhou Wan, Yuan Hu, Brad Sherborne, Peter V Coveney
Uncertainty Quantification in Alchemical Free Energy Methods. Journal of chemical theory and computation 14 (6) (2018)
Ying-Duo Gao, Yuan Hu, Alejandro Crespo, Deping Wang, Kira A Armacost, James I Fells, Xavier Fradera, Hongwu Wang, Huijun Wang, Brad Sherborne, Andreas Verras, Zhengwei Peng
Workflows and performances in the ranking prediction of 2016 D3R Grand Challenge 2: lessons learned from a collaborative effort. Journal of computer-aided molecular design 32 (1) (2017)
Tai-Sung Lee, Yuan Hu, Bradley S Sherborne, Zhuyan Guo, Darrin M York
Toward Fast and Accurate Binding Affinity Prediction with pmemdGTI: An Efficient Implementation of GPU-Accelerated Thermodynamic Integration. Journal of chemical theory and computation 13 (7) (2017)
Andreas Verras, Andreas Verras, Yuan Hu, Deping Wang, Hongwu Wang, James I Fells, Kira A Armacost, Alejandro Crespo, Brad Sherborne, Huijun Wang, Zhengwei Peng, Ying-Duo Gao
Performance of multiple docking and refinement methods in the pose prediction D3R prospective Grand Challenge 2016. Journal of computer-aided molecular design 32 (1) (2017)
Yuan Hu, Brad Sherborne, Tai-Sung Lee, David A Case, Darrin M York, Zhuyan Guo
The importance of protonation and tautomerization in relative binding affinity prediction: a comparison of AMBER TI and Schrödinger FEP. Journal of computer-aided molecular design 30 (7) (2016)

Yuan Hu.css-eqlu8i{font-size:small;padding-left:4px;}

Publication Activity (10 Years)

Top Topics

Top Venues

Yuan Hu