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About POPScomp

Jens Kleinjung edited this page Jun 7, 2026 · 4 revisions

References

Users publishing results obtained with the program and its applications should acknowledge its use by citation.

POPScomp software

DOI

Implicit solvent

Kleinjung, J. and Fraternali, F.
Design and Application of Implicit Solvent Models in Biomolecular Simulations.
Current Opinion in Structural Biology 25 (2014) 126-134.
doi pubmed

Fraternali, F. and van Gunsteren, W.F.
An efficient mean solvation force model for use in molecular dynamics simulations of proteins in aqueous solution.
Journal of Molecular Biology 256 (1996) 939-948.
doi pubmed

POPS method

Fraternali, F. and Cavallo, L.
Parameter optimized surfaces (POPS): analysis of key interactions and conformational changes in the ribosome.
Nucleic Acids Research 30 (2002) 2950-2960.
doi pubmed

POPS server

Cavallo, L., Kleinjung, J. and Fraternali, F.
POPS: A fast algorithm for solvent accessible surface areas at atomic and residue level.
Nucleic Acids Research 31 (2003) 3364-3366.
doi pubmed

POPSCOMP server

Kleinjung, J. and Fraternali, F.
POPSCOMP: an automated interaction analysis of biomolecular complexes.
Nucleic Acids Research 33 (2005) W342-W346.
doi pubmed

License and Copyright

Usage of the software and server is free under the GNU General Public License v3.0.

Copyright Holders, Authors and Maintainers

Contributors

  • 2002 Kuang Lin and Valerie Hindie (translation to C)
  • 2002 Luigi Cavallo (parametrisation)

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