Replica exchange with solute tempering: a method for sampling biological systems in explicit water.
By Pu Liu, Byungchan Kim, Richard A. Friesner, B. Berne. Proceedings of the National Academy of Sciences of the United States of America, 2005
690 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Mathematical Physics, Molecular Biology
View Paper: https://www.semanticscholar.org/paper/4fae325f174cb86bb9ca5e76a99aa5e59c788ec4
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
- Cameron F. Abrams
- Tony Lelièvre
- J'erome H'enin
- Giovanni Bussi
- Lucie Delemotte
- Omar Valsson
- Stefano Moro
- Michael R. Shirts
In Mathematical Physics
In Molecular Biology
- J'erome H'enin
- Tony Lelièvre
- Omar Valsson
- Lucie Delemotte
- Cameron F. Abrams
- Michael R. Shirts
- Stefano Moro
- Giovanni Bussi
Citations in the corpus
- Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview (2018, background): “…such as the Hamiltonian Replica Exchange (H-REMD), where Hamiltonians are exchanged among replicas instead of temperatures (Fukunishi et al., 2002), and Replica Exchange with Solute Tempering, where a different treatment of the central group and the solvent buffer is performed (Liu et al., 2005).”
- Enhanced Sampling Methods for Molecular Dynamics Simulations [Article v1.0] (2022, background): “For example, in the Replica Exchange Solute Tempering [287] (REST) and REST2 [288] variants, the “temperature" is adjusted for only a part of the system.”
- Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration (2013, background): “Among these, a notable idea is that of solute tempering [208,217] which is used for the simulation of solvated biomolecules.”