| Sequence effects on size, shape, and structural heterogeneity in Intrinsically Disordered Proteins U Baul, D Chakraborty, ML Mugnai, JE Straub, D Thirumalai The Journal of Physical Chemistry B 123 (16), 3462-3474, 2019 | 135 | 2019 |
| Theoretical perspectives on biological machines ML Mugnai, C Hyeon, M Hinczewski, D Thirumalai Reviews of Modern Physics 92 (2), 025001, 2020 | 71 | 2020 |
| Optimizing Potentials for a Liquid Mixture: A New Force Field for a tert-Butanol and Water Solution M Di Pierro, ML Mugnai, R Elber The Journal of Physical Chemistry B 119 (3), 836-849, 2015 | 26 | 2015 |
| Molecular dynamics studies of modular polyketide synthase ketoreductase stereospecificity ML Mugnai, Y Shi, AT Keatinge-Clay, R Elber Biochemistry 54 (14), 2346-2359, 2015 | 17 | 2015 |
| Dynamics of Allosteric Transitions in Dynein Y Goldtzvik, ML Mugnai, D Thirumalai Structure 26 (12), 1664-1677. e5, 2018 | 16 | 2018 |
| Sequence Determines the Switch in the Fibril Forming Regions in the Low-Complexity FUS Protein and Its Variants A Kumar, D Chakraborty, ML Mugnai, JE Straub, D Thirumalai The Journal of Physical Chemistry Letters 12 (37), 9026-9032, 2021 | 15 | 2021 |
| How kinesin waits for ATP affects the nucleotide and load dependence of the stepping kinetics R Takaki, ML Mugnai, Y Goldtzvik, D Thirumalai Proceedings of the National Academy of Sciences 116 (46), 23091-23099, 2019 | 15 | 2019 |
| Kinematics of the lever arm swing in myosin VI ML Mugnai, D Thirumalai Proceedings of the National Academy of Sciences 114 (22), E4389-E4398, 2017 | 15 | 2017 |
| Transient hydrodynamical behavior by dynamical nonequilibrium molecular dynamics: The formation of convective cells ML Mugnai, S Caprara, G Ciccotti, C Pierleoni, M Mareschal The Journal of chemical physics 131 (6), 064106, 2009 | 15 | 2009 |
| Extracting the diffusion tensor from molecular dynamics simulation with Milestoning ML Mugnai, R Elber The Journal of chemical physics 142 (1), 01B603_1, 2015 | 14 | 2015 |
| Role of Long-range Allosteric Communication in Determining the Stability and Disassembly of SARS-COV-2 in Complex with ACE2 ML Mugnai, C Templeton, R Elber, D Thirumalai bioRxiv, 2020 | 13 | 2020 |
| Information flow, Gating, and Energetics in dimeric molecular motors R Takaki, ML Mugnai, D Thirumalai Proceedings of the National Academy of Sciences 119 (46), e2208083119, 2022 | 11 | 2022 |
| Thermodynamic cycle without turning off self-interactions: formal discussion and a numerical example ML Mugnai, R Elber Journal of chemical theory and computation 8 (9), 3022-3033, 2012 | 11 | 2012 |
| Step-wise Hydration of Magnesium by Four Water Molecules Precedes Phosphate Release in a Myosin Motor ML Mugnai, D Thirumalai The Journal of Physical Chemistry B 125 (4), 1107-1117, 2021 | 8 | 2021 |
| Molecular Transfer Model for pH effects on Intrinsically Disordered Proteins: Theory and Applications ML Mugnai, D Thirumalai Journal of Chemical Theory and Computation 17 (3), 1944-1954, 2021 | 7 | 2021 |
| Processivity and Velocity for Motors Stepping on Periodic Tracks ML Mugnai, MA Caporizzo, YE Goldman, D Thirumalai Biophysical Journal, 2020 | 7 | 2020 |
| Effects of Gold Nanoparticles on the Stepping Trajectories of Kinesin S Hasnain, ML Mugnai, D Thirumalai The Journal of Physical Chemistry B 125 (37), 10432-10444, 2021 | 4 | 2021 |
| On the emergence of orientational order in folded proteins with implications for allostery D Chakraborty, ML Mugnai, D Thirumalai Symmetry 13 (5), 770, 2021 | 4 | 2021 |
| Fragile-to-strong crossover, growing length scales, and dynamic heterogeneity in Wigner glasses HW Cho, ML Mugnai, TR Kirkpatrick, D Thirumalai Physical Review E 101 (3), 032605, 2020 | 4 | 2020 |
| Sizes, conformational fluctuations, and SAXS profiles for Intrinsically Disordered Proteins ML Mugnai, D Chakraborty, A Kumar, HT Nguyen, W Zeno, ... bioRxiv, 2023.04. 24.538147, 2023 | 3 | 2023 |
