Aniket Magarkar

According to our database, Aniket Magarkar authored at least 4 papers between 2014 and 2025.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2025

Moldrug algorithm for an automated ligand binding site exploration by 3D aware molecular enumerations.

Alejandro Martínez León, Benjamin Ries, Jochen S. Hub, Aniket Magarkar

J. Cheminformatics, December, 2025

Can AI-predicted complexes teach machine learning to compute drug binding affinity?

Wei-Tse Hsu, Savva Grevtsev, Thomas Douglas, Aniket Magarkar, Philip C. Biggin

CoRR, July, 2025

2024

Automated Absolute Binding Free Energy Calculation Workflow for Drug Discovery.

Benjamin Ries, Irfan Alibay, Nithishwer Mouroug Anand, Philip C. Biggin, Aniket Magarkar

J. Chem. Inf. Model., 2024

2014

Hydrophobin Film Structure for HFBI and HFBII and Mechanism for Accelerated Film Formation.

Aniket Magarkar, Nawel Mele, Noha Abdel-Rahman, Sarah A. Butcher, Mika Torkkeli, Ritva Serimaa, Arja Paananen, Markus Linder, Alex Bunker

PLoS Comput. Biol., 2014