Efficient particle-mesh Ewald based approach to fixed and induced dipolar interactions

By Abdulnour Y. Toukmaji, C. Sagui, J. Board, T. Darden. 2000

441 citations recorded by the source corpus.

Subfields: Biomedical Engineering, Physical and Theoretical Chemistry, Spectroscopy

How researchers see this paper

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

In Biomedical Engineering

1. David A. Case
2. Jay W. Ponder

In Physical and Theoretical Chemistry

1. Jay W. Ponder
2. David A. Case
3. Junmei Wang

In Spectroscopy

1. David A. Case
2. Carles Corbi-Verge
3. Alexey Strokach
4. David Becerra
5. Albert Perez-Riba
6. Philip M. Kim
7. Jay W. Ponder

Citations in the corpus

• Fast and flexible design of novel proteins using graph neural networks (2019, methodology): “The particle mesh Ewald (50) algorithm was used to treat long-range interactions.”
• Force fields for protein simulations. (2003, methodology): “Ewald summation has been described for various polarizable multipole schemes (Nymand and Linse, 2000; Ren and Ponder, 2003), and particle mesh Ewald (PME) has been derived for induced dipole interactions (Toukmaji et al., 2000).”