Pradeep Kumar Pal

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications

Divya B. Korlepara, C. S. Vasavi, Shruti Jeurkar et al. · Scientific Data · 2022 · 25 citations · Full text

Efficient and enhanced sampling of drug‐like chemical space for virtual screening and molecular design using modern machine learning methods

Manan Goel, Rishal Aggarwal, Bhuvanesh Sridharan et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2022 · 21 citations

Drug Target, Engineering, Machine Learning +22

PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications

Divya B. Korlepara, C. S. Vasavi, Rakesh Srivastava et al. · Scientific Data · 2024 · 20 citations · Full text

Tetra-Coordinated Boron-Functionalized Phenanthroimidazole-Based Zinc Salen as a Photocatalyst for the Cycloaddition of CO₂ and Epoxides

Prakash Nayak, Anna Chandrasekar Murali, Pradeep Kumar Pal et al. · Inorganic Chemistry · 2022 · 19 citations

Carbodicarbenes and Striking Redox Transitions of their Conjugate Acids: Influence of NHC versus CAAC as Donor Substituents

Ramapada Dolai, Rahul Kumar, Benedict J. Elvers et al. · Chemistry - A European Journal · 2022 · 18 citations · Full text