| 1 |
Temporally Coarse-Grained All-Atom Molecular Dynamics Achieved via Stochastic Pade Approximants
Sereda Y, Ortoleva PJ
Journal of Physical Chemistry B, 124(8), 1392, 2020 |
| 2 |
Early Stage P22 Viral Capsid Self-Assembly Mediated by Scaffolding Protein: Atom-Resolved Model and Molecular Dynamics Simulation
Jiang JJ, Yang J, Sereda YV, Ortoleva PJ
Journal of Physical Chemistry B, 119(16), 5156, 2015 |
| 3 |
Quasiequivalence of multiscale coevolution and ensemble MD simulations: A demonstration with lactoferrin
Yang J, Singharoy A, Sereda YV, Ortoleva PJ
Chemical Physics Letters, 616, 154, 2014 |
| 4 |
Macromolecular Systems Understood through Multiscale and Enhanced Sampling Techniques Preface
Ortoleva PJ, Keyes T, Tuckerman M
Journal of Physical Chemistry B, 116(29), 8335, 2012 |
| 5 |
Nanosystem Self-Assembly Pathways Discovered via All-Atom Multiscale Analysis
Pankavich SD, Ortoleva PJ
Journal of Physical Chemistry B, 116(29), 8355, 2012 |
| 6 |
Space Warping Order Parameters and Symmetry: Application to Multiscale Simulation of Macromolecular Assemblies
Singharoy A, Joshi H, Miao YL, Ortoleva PJ
Journal of Physical Chemistry B, 116(29), 8423, 2012 |
| 7 |
Discovering Free Energy Basins for Macromolecular Systems via Guided Multiscale Simulation
Sereda YV, Singharoy AB, Jarrold MF, Ortoleva PJ
Journal of Physical Chemistry B, 116(29), 8534, 2012 |
| 8 |
Scaling Behavior of Electronic Excitations in Assemblies of Molecules with Degenerate Ground States
Fan HJ, Perkins C, Ortoleva PJ
Journal of Physical Chemistry A, 114(5), 2213, 2010 |
| 9 |
All-Atom Multiscale Simulation of Cowpea Chlorotic Mottle Virus Capsid Swelling
Miao YL, Johnson JE, Ortoleva PJ
Journal of Physical Chemistry B, 114(34), 11181, 2010 |
| 10 |
Nanoparticle dynamics: A multiscale analysis of the Liouville equation
Ortoleva PJ
Journal of Physical Chemistry B, 109(45), 21258, 2005 |
