no code implementations • 22 Feb 2023 • Congzhou M. Sha, Jian Wang, Nikolay V. Dokholyan
Molecular dynamics is the primary computational method by which modern structural biology explores macromolecule structure and function.
no code implementations • 1 Apr 2021 • Junde Li, Mahabubul Alam, Congzhou M Sha, Jian Wang, Nikolay V. Dokholyan, Swaroop Ghosh
Traditional drug discovery pipeline takes several years and cost billions of dollars.