Haochuan Chen
15PUBLICATIONS
14CO-AUTHORS
Get your video featured.
Publish with JoVEGet your video featured.
Publish with JoVE
Publications (15)
Sort by Publication Date:
|Jun 27, 2025
The String Method with Swarms of Trajectories: A Tutorial for Free-Energy Calculations Along a Zero-Drift Pathway.Chenyu Tang, Haochuan Chen, Emad Tajkhorshid
|Aug 11, 2023
Chasing collective variables using temporal data-driven strategies.Haochuan Chen, Christophe Chipot
|May 24, 2023
Discovering Reaction Pathways, Slow Variables, and Committor Probabilities with Machine Learning.Haochuan Chen, Benoît Roux, Christophe Chipot
|May 17, 2023
Improving Speed and Affordability without Compromising Accuracy: Standard Binding Free-Energy Calculations Using an Enhanced Sampling Algorithm, Multiple-Time Stepping, and Hydrogen Mass Repartitioning.Marharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen
|Sep 15, 2022
When the Dust Has Settled: Calculation of Binding Affinities from First Principles for SARS-CoV-2 Variants with Quantitative Accuracy.Emma Goulard Coderc de Lacam, Marharyta Blazhynska, Haochuan Chen
|Jun 30, 2022
Hazardous Shortcuts in Standard Binding Free Energy Calculations.Marharyta Blazhynska, Emma Goulard Coderc de Lacam, Haochuan Chen
Pageof 3
Frequent Collaborators
14 joint publications
Christophe Chipot
9 joint publications
Wensheng Cai
6 joint publications
Xueguang Shao
5 joint publications
Haohao Fu
4 joint publications
Benoît Roux
3 joint publications
Emad Tajkhorshid
1 joint publications
Hong Zhang
1 joint publications
Brian K Radak
1 joint publications
Han Liu
1 joint publications
Shashank Pant
