| Year |
Citation |
Score |
| 2023 |
Ray M, Sayeed A, Ganshert M, Saha A. Direct Binding Methods to Measure Receptor-Ligand Interactions. The Journal of Physical Chemistry. B. PMID 38134048 DOI: 10.1021/acs.jpcb.3c05041 |
0.581 |
|
| 2023 |
Jonnalagadda D, Kihara Y, Groves A, Ray M, Saha A, Ellington C, Lee-Okada HC, Furihata T, Yokomizo T, Quadros EV, Rivera R, Chun J. FTY720 requires vitamin B-TCN2-CD320 signaling in astrocytes to reduce disease in an animal model of multiple sclerosis. Cell Reports. 42: 113545. PMID 38064339 DOI: 10.1016/j.celrep.2023.113545 |
0.553 |
|
| 2023 |
Hasan MN, Ray M, Saha A. Landscape of Tools for Modeling Covalent Modification of Proteins: A Review on Computational Covalent Drug Discovery. The Journal of Physical Chemistry. B. PMID 37921534 DOI: 10.1021/acs.jpcb.3c04710 |
0.573 |
|
| 2021 |
Tripathy V, Saha A, Raghavachari K. Electrostatically embedded molecules-in-molecules approach and its application to molecular clusters. Journal of Computational Chemistry. PMID 33586802 DOI: 10.1002/jcc.26492 |
0.446 |
|
| 2018 |
Saha A, Shih AY, Mirzadegan T, Seierstad M. Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation (FEP). Journal of Chemical Theory and Computation. PMID 30289722 DOI: 10.1021/Acs.Jctc.8B00672 |
0.328 |
|
| 2017 |
Kumar CA, Saha A, Raghavachari K. Bond Activation and Hydrogen Evolution from Water through Reactions with M3S4 (M = Mo, W) and W3S3 Anionic Clusters. The Journal of Physical Chemistry. A. PMID 28212031 DOI: 10.1021/Acs.Jpca.6B11879 |
0.582 |
|
| 2016 |
Ray M, Saha A, Raghavachari K. Hydrogen evolution from water using Mo-oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo2O4(-)/Mo2O5(-) cluster couple. Physical Chemistry Chemical Physics : Pccp. 18: 25687-25692. PMID 27711425 DOI: 10.1039/C6Cp04259G |
0.672 |
|
| 2015 |
Saha A, Raghavachari K. 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. Journal of Chemical Theory and Computation. 11: 2012-23. PMID 26574406 DOI: 10.1021/Ct501045S |
0.499 |
|
| 2015 |
Raghavachari K, Saha A. Accurate Composite and Fragment-Based Quantum Chemical Models for Large Molecules. Chemical Reviews. 115: 5643-77. PMID 25849163 DOI: 10.1021/Cr500606E |
0.433 |
|
| 2015 |
Saha A, Raghavachari K. 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 Journal of Chemical Theory and Computation. 11: 2012-2023. DOI: 10.1021/ct501045s |
0.383 |
|
| 2014 |
Saha A, Raghavachari K. Dimers of Dimers (DOD): A New Fragment-Based Method Applied to Large Water Clusters. Journal of Chemical Theory and Computation. 10: 58-67. PMID 26579891 DOI: 10.1021/Ct400472V |
0.552 |
|
| 2014 |
Ray M, Waller SE, Saha A, Raghavachari K, Jarrold CC. Comparative study of water reactivity with Mo₂O(y)⁻ and W₂O(y)⁻ clusters: a combined experimental and theoretical investigation. The Journal of Chemical Physics. 141: 104310. PMID 25217919 DOI: 10.1063/1.4894760 |
0.664 |
|
| 2014 |
Saha A, Raghavachari K. Electronic structures and water reactivity of mixed metal sulfide cluster anions. The Journal of Chemical Physics. 141: 074305. PMID 25149784 DOI: 10.1063/1.4892671 |
0.534 |
|
| 2014 |
Saha A, Raghavachari K. Dimers of dimers (DOD): A new fragment-based method applied to large water clusters Journal of Chemical Theory and Computation. 10: 58-67. DOI: 10.1021/ct400472v |
0.488 |
|
| 2013 |
Saha A, Raghavachari K. Hydrogen evolution from water through metal sulfide reactions. The Journal of Chemical Physics. 139: 204301. PMID 24289348 DOI: 10.1063/1.4830096 |
0.564 |
|
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