All-atom empirical potential for molecular modeling and dynamics studies of proteins.

By Alexander D. MacKerell, Donald Bashford, M. Bellott, Roland L. Dunbrack, J. Evanseck, M. Field, S. Fischer, J. Gao, H. Guo, S. Ha and 19 more. 1998

How researchers see this paper

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

1. Robin Pearce
2. Ben M. Webb
3. Yang Zhang
4. Lim Heo
5. Ron O. Dror
6. Yilun Du
7. James C. Phillips
8. Sunhwan Jo

Citations in the corpus

• Energy-based models for atomic-resolution protein conformations (2020, background): “…use of complex energy functions that approximate the physical forces that determine protein conformations (Cornell et al., 1995; Jorgensen et al., 1996; MacKerell Jr et al., 1998), incorporating knowledge about statistical patterns in databases of protein crystal structures (Boas & Harbury, 2007).”
• Multi-property fitting and parameterization of a coarse grained model for aqueous surfactants (2007, methodology): “The CHARMM PARAM27 force field [ 21 ] is used for AA-MD except for PEG headgroups.”
• Theoretical and computational hierarchical nanomechanics of protein materials: Deformation and fracture (2008, methodology): “The CHARMM force field [56] (and 1112 M.”