Durai Sundar

Atomistic Simulation of Blood Brain Barrier Permeability of Propolis Derived Natural Compounds

This study uses atomistic simulations to analyze BBB permeability of two propolis compounds, showing CAPE has favorable permeability while ARC faces significant resistance.

An Atlas of Indian Genetic Diversity

The paper presents a comprehensive genomic atlas of Indian populations, identifying novel variants and highlighting genetic diversity and pharmacogenomic implications.

Estimating protein-ligand interactions with geometric deep learning and mixture density models

This paper develops a geometric deep learning method with mixture density models to predict protein-ligand binding conformations, showing improved performance over existing scoring functions.

M-Ionic: Prediction of metal ion binding sites from sequence using residue embeddings

M-Ionic predicts metal ion binding sites from protein sequences using residue embeddings, achieving high accuracy for known ions and extending predictions to additional ions.

Genetic risk prediction of COVID-19 susceptibility and severity in the Indian population

The paper computes polygenic risk scores for COVID-19 severity in Indian sub-populations using GWAS summary statistics and finds a positive correlation between genetic risk scores and mortality.