Author

Pooja Tiwary

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Review Open access Sep 2026

Kryptix-1: Conformational Ensemble Sampling Substantially Improves Cryptic Pocket Detection Relative to Static-Structure and Prior Computational Approaches

Cryptic binding pockets; sites absent or occluded in a protein’s resting-state structure that become druggable only in specific, transiently populated conformations; represent one of the largest untapped opportunities in structure-based drug discovery. Large-scale structural surveys estimate that cryptic pockets occur...

Ryan Varghese, Pooja Tiwary, Krishil Oswal · bioRxiv · 0 citations

Open access Jul 2026

CHIMIYA-1: An Autoselection Foundation Model for ADMET Property Prediction, Rigorously Benchmarked Against the Therapeutics Data Commons ADMET Group

A comprehensive evaluation of CHIMIYA-1, a proprietary autoselection foundation model developed by Covenant Biosciences, against the full TDC ADMET Group, showing particular strength on toxicity and physicochemical-property endpoints.

Ryan Varghese, Pooja Tiwary, Krishil Oswal · bioRxiv · 0 citations

Open access Jul 2026

Mavchen-1: A Conformational Ensemble Platform for Protein–Ligand Pose Prediction That Substantially Outperforms Static Structure Prediction in a Category-Stratified Benchmark

A category-stratified, statistically powered benchmark comparing pose prediction from receptor conformational ensembles against AlphaFold2, used as a matched static-structure baseline, across 29 protein–ligand systems spanning cryptic-pocket, induced-fit, water-mediated, and autoimmune-indication target classes is pres...

Ryan Varghese, Pooja Tiwary, Krishil Oswal · bioRxiv · 0 citations