Valentin Gogonea [1] (gogonea@organik.uni-erlangen.de)
Camelia Baleanu-Gogonea [2] (gogonea@organik.uni-erlangen.de)
Carlos A. Del Carpio [3] (carlos@translell.tutkie.tut.ac.jp)
[1] Computer Chemistry Center, Institute for Organic Chemistry
Erlangen-Nurnberg University, Nagelsbachstr.
25, D-91052 Erlangen, Germany
[2] Laboratory of Molecular Biology,
Department of Ecological Engineering.
Toyohashi University of Technology.
Tempaku, Toyohashi 441, Japan
[3] Laboratory for Informatics & AI in Molecular and Biological Sciences
Department of Ecological Engineering,
Toyohashi University of Technology.
Tempaku. Toyohashi 441, Japan
This is the second of a series of articles describing our system for prediction of protein conformation in solution. Here we propose a force field for studying protein folding in solution. Our force field is made up of an internal force field (MM2) and a solvent force field which sums up the constrains that solvent imposes to protein structure in solution, as compared with the gas phase.