Lin Frank Song

A computational chemist

[William L. Jorgensen @JorgensenWL]

Happy to report numerous low-nM inhibitors & 5 crystal structures: Noncovalent, Non-Peptidic Inhibitors of the Main Protease of #SARS-CoV-2 Guided by #FEP Calculations. #COVID19 Team went from 200 uM to 20 nM in 3 months. https://t.co/eSi2cHVqG6

[Nullius in verba @kmerz1]

Need validated counter ion models for biomolecular simulations using the OPC, OPC3, TIP3P-FB, or TIP4P-FB water models? Our new monovalent ion paper is out for these solvent models! https://t.co/YHUgz56GAs @JCIM_ACS