| 1 |
Discovering Protein Conformational Flexibility through Artificial-Intelligence-Aided Molecular Dynamics
Smith Z, Ravindra P, Wang YH, Cooley R, Tiwary P
Journal of Physical Chemistry B, 124(38), 8221, 2020 |
| 2 |
Can One Trust Kinetic and Thermodynamic Observables from Biased Metadynamics Simulations?: Detailed Quantitative Benchmarks on Millimolar Drug Fragment Dissociation
Pramanik D, Smith Z, Kells A, Tiwary P
Journal of Physical Chemistry B, 123(17), 3672, 2019 |
| 3 |
Rheological characterization of long-chain branched poly(lactide) prepared by reactive extrusion in the presence of allylic and acrylic coagents
Tiwary P, Kontopoulou M
Journal of Rheology, 62(5), 1071, 2018 |
| 4 |
Molecular Determinants and Bottlenecks in the Dissociation Dynamics of Biotin-Streptavidin
Tiwary P
Journal of Physical Chemistry B, 121(48), 10841, 2017 |
| 5 |
Unbinding Kinetics of a p38 MAP Kinase Type II Inhibitor from Metadynamics Simulations
Casasnovas R, Limongelli V, Tiwary P, Carloni P, Parrinello M
Journal of the American Chemical Society, 139(13), 4780, 2017 |
| 6 |
Coagent Modified Polypropylene Prepared by Reactive Extrusion: A New Look into the Structure-Property Relations of Injection Molded Parts
Tiwary P, Gui H, Ferreira PL, Kontopoulou M
International Polymer Processing, 31(4), 433, 2016 |
| 7 |
New Approach for Investigating Reaction Dynamics and Rates with Ab Initio Calculations
Fleming KL, Tiwary P, Pfaendtner J
Journal of Physical Chemistry A, 120(2), 299, 2016 |
| 8 |
How a Kinase Inhibitor Withstands Gatekeeper Residue Mutations
Mondal J, Tiwary P, Berne BJ
Journal of the American Chemical Society, 138(13), 4608, 2016 |
| 9 |
Crystallization of Coagent-Modified Polypropylene: Effect of Polymer Architecture and Cross-Linked Nanoparticles
Zhang Y, Tiwary P, Gui H, Kontopoulou M, Parent JS
Industrial & Engineering Chemistry Research, 53(41), 15923, 2014 |
| 10 |
Crystallization and foaming of coagent-modified polypropylene: Nucleation effects of cross-linked nanoparticles
Zhang Y, Tiwary P, Parent JS, Kontopoulou M, Park CB
Polymer, 54(18), 4814, 2013 |
