Optimal Protein Design Procedure

Flavio Seno; Michele Vendruscolo; Amos Maritan; Jayanth R. Banavar

doi:10.1103/PhysRevLett.77.1901

Optimal Protein Design Procedure

Flavio Seno, Michele Vendruscolo, Amos Maritan, and Jayanth R. Banavar

Phys. Rev. Lett. 77, 1901 – Published 26 August 1996

Abstract

We discuss a general method for protein design based on an analysis in sequence space of the Boltzmann weight for a given target structure. An efficient Monte Carlo code that explores sequence space (and, for each sequence, the space of compact and noncompact conformations) is implemented and tested in two models in two dimensions which are amenable to an exact solution—the design procedure is always successful.

Received 6 March 1996

DOI:https://doi.org/10.1103/PhysRevLett.77.1901

Authors & Affiliations

Flavio Seno¹, Michele Vendruscolo², Amos Maritan², and Jayanth R. Banavar³

¹INFM-Dipartimento di Fisica, Università di Padova, Via Marzolo 8, Padova, Italy
²Istituto Nazionale per la Fisica della Materia (I.N.F.M.) and International School for Advanced Studies (S.I.S.S.A.), Via Beirut 2-4, 34014 Trieste, Italy
³Department of Physics and Center for Materials Physics, 104 Davey Laboratory, The Pennsylvania State University, University Park, Pennsylvania 16802