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Arijit Roy

11PUBLICATIONS

9CO-AUTHORS

Biomolecular modelling and designStructural biology (incl. macromolecular modelling)Medical molecular engineering of nucleic acids and proteinsChemical and thermal processes in energy and combustion

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Publications (11)

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|Sep 29, 2025

MolDecor: Leveraging Transformers to Decorate Bioactive Molecules for Property Optimization.

Dibyajyoti Das, Sarveswara Rao Vangala, Arijit Roy

|Aug 26, 2025

A structure-oriented kinetics dataset of enzyme-substrate interactions.

Sowmya Ramaswamy Krishnan, Nishtha Pandey, Rajgopal Srinivasan

|Apr 02, 2025

DRLiPS: a novel method for prediction of druggable RNA-small molecule binding pockets using machine learning.

Sowmya Ramaswamy Krishnan, Arijit Roy, Limsoon Wong

|Aug 16, 2023

pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules.

Sarveswara Rao Vangala, Sowmya Ramaswamy Krishnan, Navneet Bung

|Mar 27, 2023

Gex2SGen: Designing Drug-like Molecules from Desired Gene Expression Signatures.

Dibyajyoti Das, Broto Chakrabarty, Rajgopal Srinivasan

|Sep 28, 2022

An interpretable machine learning model for selectivity of small-molecules against homologous protein family.

Sarveswara Rao Vangala, Navneet Bung, Sowmya Ramaswamy Krishnan

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Frequent Collaborators

7 joint publications

Sowmya Ramaswamy Krishnan

6 joint publications

Navneet Bung

4 joint publications

Gopalakrishnan Bulusu

1 joint publications

Siladitya Padhi

1 joint publications

William R Foster

1 joint publications

Wyatt W Yue

1 joint publications

Sarveswara Rao Vangala

1 joint publications

Limsoon Wong

1 joint publications

M Michael Gromiha

Frequent Collaborators

7 joint publications

Sowmya Ramaswamy Krishnan

6 joint publications

Navneet Bung

4 joint publications

Gopalakrishnan Bulusu

1 joint publications

Siladitya Padhi

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