Protein topology and stability define the space of allowed sequences

P Koehl, M Levitt - Proceedings of the National Academy of …, 2002 - National Acad Sciences
We describe a new approach to explore and quantify the sequence space associated with a
given protein structure. A set of sequences are optimized for a given target structure, using …

Energy landscape of a peptide consisting of α‐helix, 310‐helix, β‐turn, β‐hairpin, and other disordered conformations

J Higo, N Ito, M Kuroda, S Ono, N Nakajima… - Protein …, 2001 - Wiley Online Library
The energy landscape of a peptide [Ace‐Lys‐Gln‐Cys‐Arg‐Glu‐Arg‐Ala‐Nme] in explicit
water was studied with a multicanonical molecular dynamics simulation, and the AMBER …

Geometry selects highly designable structures

V Shahrezaei, MR Ejtehadi - The Journal of Chemical Physics, 2000 - pubs.aip.org
By enumerating all sequences of length 20, we study the designability of structures in a two-
dimensional hydrophobic-polar HP lattice model in a wide range of intermonomer …

Correlations between designability and various structural characteristics of protein lattice models

JY Yang, ZG Yu, V Anh - The Journal of chemical physics, 2007 - pubs.aip.org
Using six kinds of lattice types (⁠ 4× 4⁠, 5× 5⁠, and 6× 6 square lattices; 3× 3× 3 cubic
lattice; and 2+ 3+ 4+ 3+ 2 and 4+ 5+ 6+ 5+ 4 triangular lattices), three different size …

Secondary-structure-favored hydrophobic-polar lattice model of protein folding

H Chen, X Zhou, ZC Ou-Yang - Physical Review E, 2001 - APS
Protein folding is studied using a two-dimensional lattice model with the Hamiltonian
including both hydrophobic interactions and main chain hydrogen bond interactions of …