Challenges in the computational design of proteins

Expectations from structural genomics

(2010) Steven E. Brenner et al.   PROTEIN SCIENCE

Pareto optimization in computational protein design with multiple objectives

(2008) María Suárez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Backrub-Like Backbone Simulation Recapitulates Natural Protein Conformational Variability and Improves Mutant Side-Chain Prediction

(2008) Colin A. Smith et al.   JOURNAL OF MOLECULAR BIOLOGY

Computational Design of Calmodulin Mutants with up to 900-Fold Increase in Binding Specificity

(2008) Eliyahu Yosef et al.   JOURNAL OF MOLECULAR BIOLOGY

Kemp elimination catalysts by computational enzyme design

(2008) Daniela Röthlisberger et al.   NATURE

Computational protein design with side-chain conformational entropy

(2008) Daniele Sciretti et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

De Novo Computational Design of Retro-Aldol Enzymes

(2008) L. Jiang et al.   SCIENCE

Toward Full-Sequence De Novo Protein Design with Flexible Templates for Human Beta-Defensin-2

(2007) Ho Ki Fung et al.   BIOPHYSICAL JOURNAL

An improved pairwise decomposable finite-difference Poisson–Boltzmann method for computational protein design

(2007) Christina L. Vizcarra et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

A de novo redesign of the WW domain

(2003) Christina M. Kraemer-Pecore et al.   PROTEIN SCIENCE