CAMPARI HistoryThe primary developer of the software CAMPARI and the implicit solvation model ABSINTH is Andreas Vitalis. CAMPARI was developed during stays in the lab of Rohit V. Pappu at Washington University in St.Louis, USA and in the lab of lab of Amedeo Caflisch at the University of Zurich. The first version was released in 2010, and the current version (2.0) was released early in 2014. The CAMPARI development team is indebted to many scientists having developed and implemented algorithms into software such as GROMACS, CHARMM, or TINKER for inspiration.
Funding during this time was provided by several grants to Rohit Pappu (grants MCB-0416766 and MCB-0718924 from the National Science Foundation from 2004-current, and grant 5R01NS056114 from the National Institute of Health from 2007-current). Personal funding for Andreas Vitalis during the relevant time came from grants of the Swiss National Science Foundation to Amedeo Caflisch, the Forschungskredit of the University of Zurich, and the Holcim foundation.
CAMPARI SupportIn early 2014, a list of CAMPARI developers is as follows (alphabetical order):
- Nicolas Blöchliger, currently a Ph.D. student in the Caflisch lab
Primary user experience: Monte Carlo simulations of IDPs, clustering and derived data analysis techniques
Development: Inexact progress index method, documentation
- Nick Lyle, Ph.D.
Primary user experience: Conformational equilibria, associativity, and thermodynamics of β-sheet formation in QN-peptides with and without flanking sequences
Development: Minimizers, Wang-Landau sampling
- Albert Mao, M.D./Ph.D.
Primary user experience: Conformational equilibria for intrinsically disordered polypeptides with high net charge
Development: Support for μVT and related ensembles
- Rohit Pappu, Ph.D., full professor, see above
User experience: Polymeric analyses of excluded volume ensembles of polypeptides
- Jose Pulido
User experience: Free energy calculations in the excluded volume limit
- Adam Steffen
User experience: Various
Development: Exact concerted rotation and pucker sampling moves, force field porting, minimizers, documentation
- Hoang Tran, Ph.D.
Primary user experience: Polymeric analyses of excluded volume ensembles of polypeptides
Development: Polymeric analyses
- Andreas Vitalis, Ph.D., currently at the University of Zurich
User experience: Various
Development: Primary developer
- Xiaoling Wang, Ph.D.
Primary user experience: Dimerization and conformational equilibria of QN-peptides
Development: Inexact concerted rotation moves, WCA potential
For issues that - for whatever reason - are not fit to be presented within the SourceForge framework, we offer a collective e-mail address that will be read by several members of the development team. This refers to requests to obtain development versions in particular:
campari.software " guess what character goes here " gmail.com
We naturally aim to be responsive whichever way you contact us, but please understand that no member of the development team is exclusively paid to provide this type of support. Therefore, patience will be appreciated as usual.