| Accurate composite and fragment-based quantum chemical models for large molecules K Raghavachari, A Saha Chemical reviews 115 (12), 5643-5677, 2015 | 267 | 2015 |
| Predicting mutational effects on receptor binding of the spike protein of SARS-CoV-2 variants C Bai, J Wang, G Chen, H Zhang, K An, P Xu, Y Du, RD Ye, A Saha, ... Journal of the American Chemical Society 143 (42), 17646-17654, 2021 | 44 | 2021 |
| Analysis of different fragmentation strategies on a variety of large peptides: Implementation of a low level of theory in fragment-based methods can be a crucial factor A Saha, K Raghavachari Journal of Chemical Theory and Computation 11 (5), 2012-2023, 2015 | 41 | 2015 |
| Dimers of dimers (DOD): A new fragment-based method applied to large water clusters A Saha, K Raghavachari Journal of Chemical Theory and Computation 10 (1), 58-67, 2014 | 38 | 2014 |
| Comparative study of water reactivity with Mo2Oy− and W2Oy− clusters: a combined experimental and theoretical investigation M Ray, SE Waller, A Saha, K Raghavachari, CC Jarrold The Journal of Chemical Physics 141 (10), 2014 | 35 | 2014 |
| Hydrogen evolution from water through metal sulfide reactions A Saha, K Raghavachari The journal of chemical physics 139 (20), 2013 | 29 | 2013 |
| Photoswitching magnetic crossover in organic molecular systems A Saha, IA Latif, SN Datta The Journal of Physical Chemistry A 115 (8), 1371-1379, 2011 | 29 | 2011 |
| Exploring the catalytic reaction of cysteine proteases G Oanca, M Asadi, A Saha, B Ramachandran, A Warshel The Journal of Physical Chemistry B 124 (50), 11349-11356, 2020 | 22 | 2020 |
| Predicting the binding of fatty acid amide hydrolase inhibitors by free energy perturbation A Saha, AY Shih, T Mirzadegan, M Seierstad Journal of Chemical Theory and Computation 14 (11), 5815-5822, 2018 | 20 | 2018 |
| Exploring the proteolysis mechanism of the proteasomes A Saha, G Oanca, D Mondal, A Warshel The Journal of Physical Chemistry B 124 (27), 5626-5635, 2020 | 13 | 2020 |
| Fast and effective prediction of the absolute binding free energies of covalent inhibitors of SARS-CoV-2 main protease and 20S proteasome J Zhou, A Saha, Z Huang, A Warshel Journal of the American Chemical Society 144 (17), 7568-7572, 2022 | 12 | 2022 |
| Hydrogen evolution from water using Mo–oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo 2 O 4−/Mo 2 O 5− cluster couple M Ray, A Saha, K Raghavachari Physical Chemistry Chemical Physics 18 (36), 25687-25692, 2016 | 12 | 2016 |
| An analysis of different components of a high-throughput screening library A Saha, T Varghese, A Liu, SJ Allen, T Mirzadegan, MD Hack Journal of Chemical Information and Modeling 58 (10), 2057-2068, 2018 | 10 | 2018 |
| Simulating the directional translocation of a substrate by the AAA+ motor in the 26S proteasome A Saha, A Warshel Proceedings of the National Academy of Sciences 118 (23), e2104245118, 2021 | 9 | 2021 |
| Electronic structures and water reactivity of mixed metal sulfide cluster anions A Saha, K Raghavachari The Journal of Chemical Physics 141 (7), 2014 | 7 | 2014 |
| Bond Activation and Hydrogen Evolution from Water through Reactions with M3S4 (M = Mo, W) and W3S3 Anionic Clusters CA Kumar, A Saha, K Raghavachari The Journal of Physical Chemistry A 121 (8), 1760-1767, 2017 | 6 | 2017 |
| FTY720 requires vitamin B12-TCN2-CD320 signaling in astrocytes to reduce disease in an animal model of multiple sclerosis D Jonnalagadda, Y Kihara, A Groves, M Ray, A Saha, C Ellington, ... Cell Reports 42 (12), 2023 | 4 | 2023 |
| Electrostatically embedded molecules‐in‐molecules approach and its application to molecular clusters V Tripathy, A Saha, K Raghavachari Journal of Computational Chemistry 42 (10), 719-734, 2021 | 4 | 2021 |
| Landscape of In Silico Tools for Modeling Covalent Modification of Proteins: A Review on Computational Covalent Drug Discovery MN Hasan, M Ray, A Saha The Journal of Physical Chemistry B 127 (45), 9663-9684, 2023 | 1 | 2023 |
| Exploring the distribution pattern of rural labour migration and its impact on agriculture. A Saha, MM Adhikary | 1 | 2015 |
Manisha RayAssistant Professor at Loyola University ChicagoVerified email at luc.edu
