| Efficient and enhanced sampling of drug‐like chemical space for virtual screening and molecular design using modern machine learning methods M Goel, R Aggarwal, B Sridharan, PK Pal, UD Priyakumar Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (2), e1637, 2023 | 12 | 2023 |
| Plas-5k: Dataset of protein-ligand affinities from molecular dynamics for machine learning applications DB Korlepara, CS Vasavi, S Jeurkar, PK Pal, S Roy, S Mehta, S Sharma, ... Scientific data 9 (1), 548, 2022 | 11 | 2022 |
| Tetra-Coordinated Boron-Functionalized Phenanthroimidazole-Based Zinc Salen as a Photocatalyst for the Cycloaddition of CO2 and Epoxides P Nayak, AC Murali, PK Pal, UD Priyakumar, V Chandrasekhar, ... Inorganic Chemistry 61 (37), 14511-14516, 2022 | 8 | 2022 |
| Synthesis of α‐Aryl Ketones by Harnessing the Non‐Innocence of Toluene and its Derivatives: Enhancing the Acidity of Methyl Arenes by a Brønsted Base and their Mechanistic Aspects R Sreedharan, PK Pal, PKR Panyam, UD Priyakumar, T Gandhi Asian Journal of Organic Chemistry 11 (9), e202200372, 2022 | 6 | 2022 |
| Synthesis and reactivity of NHC-coordinated phosphinidene oxide D Dhara, PK Pal, R Dolai, N Chrysochos, H Rawat, BJ Elvers, ... Chemical Communications 57 (75), 9546-9549, 2021 | 6 | 2021 |
| Carbodicarbenes and striking redox transitions of their conjugate acids: influence of NHC versus CAAC as donor substituents R Dolai, R Kumar, BJ Elvers, PK Pal, B Joseph, R Sikari, MK Nayak, ... Chemistry–A European Journal 29 (2), e202202888, 2023 | 5 | 2023 |
| PLAS-20k: Extended Dataset of Protein-Ligand Affinities from MD Simulations for Machine Learning Applications UD Priyakumar, DB Korlepara, CS Vasavi, R Srivastava, PK Pal, SH Raza, ... | 1 | 2023 |
U. Deva PriyakumarProfessor, IIIT HyderabadVerified email at iiit.ac.in
