| Exploring the mechanism of covalent inhibition: Simulating the binding free energy of α-ketoamide inhibitors of the main protease of SARS-CoV-2 D Mondal, A Warshel Biochemistry 59 (48), 4601-4608, 2020 | 49 | 2020 |
| EF-Tu and EF-G are activated by allosteric effects D Mondal, A Warshel Proceedings of the National Academy of Sciences 115 (13), 3386-3391, 2018 | 19 | 2018 |
| Combinatorial approach for exploring conformational space and activation barriers in computer-aided enzyme design D Mondal, V Kolev, A Warshel ACS catalysis 10 (11), 6002-6012, 2020 | 18 | 2020 |
| Exploring the Activation Process of the β2AR-Gs Complex C Bai, J Wang, D Mondal, Y Du, RD Ye, A Warshel Journal of the American Chemical Society 143 (29), 11044-11051, 2021 | 17 | 2021 |
| Exploring the activation pathway and Gi-coupling specificity of the μ-opioid receptor D Mondal, V Kolev, A Warshel Proceedings of the National Academy of Sciences 117 (42), 26218-26225, 2020 | 17 | 2020 |
| Exploring the effectiveness of binding free energy calculations D Mondal, J Florian, A Warshel The Journal of Physical Chemistry B 123 (42), 8910-8915, 2019 | 17 | 2019 |
| Exploring alternative catalytic mechanisms of the Cas9 HNH domain LN Zhao, D Mondal, A Warshel Proteins: Structure, Function, and Bioinformatics 88 (2), 260-264, 2020 | 16 | 2020 |
| Soluble TREM2 inhibits secondary nucleation of Aβ fibrillization and enhances cellular uptake of fibrillar Aβ KD Belsare, H Wu, D Mondal, A Bond, E Castillo, J Jin, H Jo, AE Roush, ... Proceedings of the National Academy of Sciences 119 (5), e2114486119, 2022 | 15 | 2022 |
| Solvent thermodynamic driving force controls stacking interactions between polyaromatics AS Rury, C Ferry, JR Hunt, M Lee, D Mondal, SMO O’Connell, ENH Phan, ... The Journal of Physical Chemistry C 120 (41), 23858-23869, 2016 | 14 | 2016 |
| 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 |
| Exploring the drug resistance of HCV protease G Jindal, D Mondal, A Warshel The Journal of Physical Chemistry B 121 (28), 6831-6840, 2017 | 9 | 2017 |
| Histidine protonation states are key in the LigI catalytic reaction mechanism LN Zhao, D Mondal, W Li, Y Mu, P Kaldis Proteins: Structure, Function, and Bioinformatics 90 (1), 123-130, 2022 | 2 | 2022 |
| Quantum chemical investigation of thermochemistry in Calvin cycle D Mondal, T Sadhukhan, IA Latif, SN Datta Journal of Chemical Sciences 127, 2231-2240, 2015 | 2 | 2015 |
Lina ZhaoLund UniversityVerified email at med.lu.se
