Haochuan Chen 
Centre National de la Recherche Scientifique Postdoc

Phone :     +33-(0)3-72-74-50-75
E-mail :     haochuan.chen@Univ-Lorraine.fr and yjcoshc@mail.nankai.edu.cn

Biographical sketch

Haochuan obtained a bachelor degree in chemistry at Nankai University in 2016. Supervised by Professor Wensheng Cai, he obtained a doctoral degree in analytical chemistry at the same university in 2021, defending a dissertation entitled "Investigations of Free-Energy Calculations: Theories, Software Implementations and Applications". Haochuan's research interests include enhanced-sampling methods for free-energy calculations, and their applications in molecular machines.

Research areas
Free-energy calculations, methods development, transition-path sampling.


Selected publications
  1. Chen, H.; Fu, H.; Chipot, C.; Shao, X.; Cai, W. Overcoming Free-Energy Barriers with a Seamless Combination of a Biasing Force and a Collective Variable-Independent Boost Potential. J. Chem. Theory Comput. 2021, 17 (7), 3886–3894.
  2. Chen, H.; Maia, J. D. C.; Radak, B. K.; Hardy, D. J.; Cai, W.; Chipot, C.; Tajkhorshid, E. Boosting Free-Energy Perturbation Calculations with GPU-Accelerated NAMD. J. Chem. Inf. Model. 2020, 60 (11), 5301–5307.
  3. Fu, H.; Chen, H.; Wang, X.; Chai, H.; Shao, X.; Cai, W.; Chipot, C. Finding an Optimal Pathway on a Multidimensional Free-Energy Landscape. J. Chem. Inf. Model. 2020, 60 (11), 5366–5374.
  4. Chen, H.; Zhang, H.; Shao, X.; Cai, W. Tumbling of Anisole Units in Calixarene Promotes Its Shuttling in Rotaxanes. J. Phys. Chem. C 2019, 123 (29), 18050–18055.
  5. Chen, H.; Fu, H.; Shao, X.; Chipot, C.; Cai, W. ELF: An Extended-Lagrangian Free Energy Calculation Module for Multiple Molecular Dynamics Engines. J. Chem. Inf. Model. 2018, 58 (7), 1315–1318. https://doi.org/10.1021/acs.jcim.8b00115.

Recent publications


Structural and functional characterization of DdrC, a novel DNA damage-induced nucleoid associated protein involved in DNA compaction
Anne-Sophie Banneville; Claire Bouthier de la Tour; Salvatore De Bonis; Cecilia Hognon; Jacques-Philippe Colletier; Jean-Marie Teulon; Aline Le Roy; Jean-Luc Pellequer; Antonio Monari; Francois Dehez; Fabrice Confalonieri; Pascale Servant; Joanna Timmins;
Nucleic Acids Research (2022) 50 (13): 7680-7696
Biochemical and Structural Characterization of Chi-Class Glutathione Transferases: A Snapshot on the Glutathione Transferase Encoded by sll0067 Gene in the Cyanobacterium Synechocystis sp. Strain PCC 6803
Eva Mocchetti; Laura Morette; Guillermo Mulliert; Sandrine Mathiot; Benoit Guillot; Francois Dehez; Franck Chauvat; Corinne Cassier-Chauvat; Celine Brochier-Armanet; Claude Didierjean; Arnaud Hecker;
Biomolecules (2022) 12 (10): 1466
Galvani Offset Potential and Constant-pH Simulations of Membrane Proteins
Olivier Bignucolo; Christophe Chipot; Stephan Kellenberger; Benoit Roux;
The Journal of Physical Chemistry B (2022) 23 (36): 6868-6877

News

- Renewal of the Laboratoire International Associé CNRS-University of Illinois at Urbana-Champaign on January 2021
- 新的分子动力学讲义 (Dissemination).
- Kudos to Margaret Blazhynska and Emma Goulard Coderc de Lacam on their DrEAM fellowship supporting their training in the Tajkhorshid and Gumbart research groups.
 

Contact

Laboratoire International Associé
CNRS-UIUC
Unité mixte de recherche n°7019
Université de Lorraine, B.P. 70239
54506 Vandoeuvre-lès-Nancy Cedex, France
 
Phone: +33(0)3 72 74 50 75
 
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