A temperature predictor for parallel tempering simulations.

By Alexandra Patriksson, D. van der Spoel. Physical Chemistry, Chemical Physics - PCCP, 2008

477 citations recorded by the source corpus.

Subfields: Materials Chemistry, Molecular Biology, Plant Science

View Paper: https://www.semanticscholar.org/paper/a07ab415f1c739df6bbc70517d1d5df311bd1fd4

How researchers see this paper

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

In Materials Chemistry

1. Stefano Moro
2. Veronica Salmaso

In Molecular Biology

1. Stefano Moro
2. Veronica Salmaso
3. Luca Pinzi
4. Giulio Rastelli

Citations in the corpus

• Bridging Molecular Docking to Molecular Dynamics in Exploring Ligand-Protein Recognition Process: An Overview (2018, background): “…are updated by rescaling the velocities of the parent simulations ( v 1 and v 2 to v 1 ′ and v 2 ′ ) according to the following equation:  The choice of the panel of temperatures is critical, and various strategies have been proposed to guide the selection (Patriksson and van der Spoel, 2008).”