Strategies for protein folding and design |
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| Authors: | Cristian Micheletti Flavio Seno Amos Maritan Jayanth R. Banavar |
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| Affiliation: | (1) The Abdus Salam Centre for Theoretical Physics, INFM-International School for Advanced Studies (S.I.S.S.A.), Via Beirut 2-4, 34014 Trieste, Italy;(2) INFM-Dipartimento di Fisica, Università di Padova, Via Marzolo 8, 35131 Padova, Italy;(3) Department of Physics and Center for Materials Physics, 104 Davey Laboratory, The Pennsylvania State University, 16802 University Park, Pennsylvania, USA |
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| Abstract: | Fundamental challenges in molecular biology can be addressed by using simple models on a lattice, where statistical mechanics and combinatoric techniques can be employed. The basic premise is that it is sensible to test any proposed method on the simplest of models in order to assess their validity before launching a full-scale attack on realistic problems. In this paper we follow this strategy and we present different efficient schemes to perform protein design and to extract effective amino acid interaction potentials.This work was supported in part by INFM, INFN sez. di Trieste, NASA and NATO. |
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| Keywords: | 82D60 82B20 82B30 82B80 |
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