Sudip Das (@sudipda09195612) 's Twitter Profile
Sudip Das

@sudipda09195612

Postdoc in @GroupParrinello @IITalk
Former PhD student @jncbala @jncasr #MolecularSimulation #compchem #biophysicalchemistry #ML
Email: [email protected]

ID: 1248625336679424002

calendar_today10-04-2020 14:54:41

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Sudip Das (@sudipda09195612) 's Twitter Profile Photo
Sudip Das
@sudipda09195612

4 months ago

Check out our new preprint on ML-based semi-automated, fast & cheap enhanced sampling method for predicting accurate free energy surface & TS for enzyme catalysis. Able to fine-tune structure-activity relationship towards rational enzyme & drug design.

Check out our new preprint on ML-based semi-automated, fast & cheap enhanced sampling method for predicting accurate free energy surface & TS for enzyme catalysis. Able to fine-tune structure-activity relationship towards rational enzyme & drug design.