Chenggong惠成功 @chenggonghui.bsky.social · 16/06/2026My JCTC on RBFE (water) enhanced sampling is now online pubs.acs.org/doi/10.1021/... 010
Chenggong惠成功 @chenggonghui.bsky.social · 30/03/2026Our new FEP sampling engine GrandFEP is now on GitHub and Chemrxvi. We implemented GCMC, Water-Swap MC, REST2, and terminal-flip MC in OpenMM. Github github.com/deGrootLab/G... Chemrxiv doi.org/10.26434/che... 095
Chenggong惠成功 @chenggonghui.bsky.social · 17/08/2025Come to my talk on ACS Fall 2025 about K+ channel ECC force field on 19 Aug😏 We also have our new developed GCMC FEP with benchmark.😉 #acsfall2025 043
Chenggong惠成功 @chenggonghui.bsky.social · 13/07/2025I have a poster at CCPBioSim presenting our new development on GCMC RBFE. See you in Southampton. #CCPBioSim 030
Chenggong惠成功 @chenggonghui.bsky.social · 20/05/2025Our K+ channel force field paper is now online on PNAS www.pnas.org/doi/epub/10.... It has been a great time working with @reinierdevries.bsky.social @wojciechkopec.bsky.social , Bert de Groot here at @mpi-nat.bsky.social @compbiophys.bsky.social 0114
Reposted by Chenggong惠成功Wojciech Kopec @wojciechkopec.bsky.social · 21/11/2024MD simulations of K+ ions permeation through the MthK potassium channel, done at +150 mV. We developed and applied optimized ion parameters within the Electronic Continuum Correction (ECC) framework. The simulated current quantitatively matches the experimental one. www.biorxiv.org/content/10.1... 410617
