124 citations · 971 across the 28 of their papers we have counts for
7 papers · 1 filter
Monte Carlo Update for Chain Molecules: Biased Gaussian Steps in Torsional Space
Giorgio Favrin, Anders Irbäck, Fredrik Sjunnesson
We develop a new elementary move for simulations of polymer chains in torsion angle space. The method is flexible and easy to implement. Tentative updates are drawn from a (conform…
Three-helix-bundle Protein in a Ramachandran Model
Anders Irbäck, Fredrik Sjunnesson, Stefan Wallin
We study the thermodynamic behavior of a model protein with 54 amino acids that forms a three-helix bundle in its native state. The model contains three types of amino acids and fi…
On Hydrophobicity Correlations in Protein Chains
Anders Irbäck, Erik Sandelin
We study the statistical properties of hydrophobic/polar model sequences with unique native states on the square lattice. It is shown that this ensemble of sequences differs from r…
Monte Carlo Study of the Phase Structure of Compact Polymer Chains
Anders Irbäck, Erik Sandelin
We study the phase behavior of single homopolymers in a simple hydrophobic/hydrophilic off-lattice model with sequence independent local interactions. The specific heat is, not une…
Design of Sequences with Good Folding Properties in Coarse-Grained Protein Models
Anders Irbäck, Carsten Peterson, Frank Potthast +1
Background: Designing amino acid sequences that are stable in a given target structure amounts to maximizing a conditional probability. A straightforward approach to accomplish thi…
Monte Carlo Procedure for Protein Design
Anders Irbäck, Carsten Peterson, Frank Potthast +1
A new method for sequence optimization in protein models is presented. The approach, which has inherited its basic philosophy from recent work by Deutsch and Kurosky [Phys. Rev. Le…
Local Interactions and Protein Folding: A Model Study on the Square and Triangular Lattices
Anders Irbäck, Erik Sandelin
We study a simple heteropolymer model containing sequence-independent local interactions on both square and triangular lattices. Sticking to a two-letter code, we investigate the m…