Long-Time-Step Molecular Dynamics through Hydrogen Mass Repartitioning.

By C. W. Hopkins, S. Le Grand, Ross C. Walker, Adrian E. Roitberg. Journal of Chemical Theory and Computation, 2015

1,251 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Molecular Biology, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/203ad1d8dd3bfaabd3c6ab684ed98f619158c7fe

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Atomic and Molecular Physics, and Optics

1. Michael Feig

In Molecular Biology

1. Lim Heo
2. Collin F Arbour
3. Michael Feig
4. Yang Zhang
5. Robin Pearce
6. Justin A. Lemkul
7. David Baker

In Spectroscopy

1. Lim Heo
2. Collin F Arbour
3. Michael Feig
4. Robin Pearce
5. Yang Zhang

Citations in the corpus

• Driven to Near-Experimental Accuracy by Refinement via Molecular Dynamics Simulations (2019, methodology): “37 This allowed MD simulations with a 4-fs integration time step, thereby cutting computational costs in half for the same simulation time compared to unmodified masses.”