Computational protein design

Dominant forces in protein folding

1990 • 3,682 citations

Solvation energy in protein folding and binding

1986 • 1,853 citations

Principles of protein folding — A perspective from simple exact models

1995 • 1,532 citations

Tertiary templates for proteins

1987 • 1,485 citations

A Thermodynamic Scale for the Helix-Forming Tendencies of the Commonly Occurring Amino Acids

1990 • 1,173 citations

De Novo Protein Design: Fully Automated Sequence Selection

1997 • 1,129 citations

A Novel, Highly Stable Fold of the Immunoglobulin Binding Domain of Streptococcal Protein G

1991 • 794 citations

Conformation of amino acid side-chains in proteins

1978 • 777 citations

The dead-end elimination theorem and its use in protein side-chain positioning

1992 • 698 citations

Helix propensities of the amino acids measured in alanine‐based peptides without helix‐stabilizing side‐chain interactions

1994 • 601 citations

Engineering of stable and fast-folding sequences of model proteins.

1993 • 543 citations

Protein Design: A Hierarchic Approach

1995 • 532 citations

High-Resolution Protein Design with Backbone Freedom

1998 • 457 citations

Alternative packing arrangements in the hydrophobic core of λrepresser

1989 • 375 citations

Design, structure and stability of a hyperthermophilic protein variant

1998 • 348 citations

De novo design of the hydrophobic cores of proteins

1995 • 301 citations

Protein design automation

1996 • 291 citations

Crystal Structure of a Synthetic Triple-Stranded α-Helical Bundle

1993 • 281 citations

Efficient rotamer elimination applied to protein side-chains and related spin glasses

1994 • 279 citations

Probing the role of packing specificity in protein design

1997 • 252 citations

Automated design of the surface positions of protein helices

1997 • 233 citations

De novo design of the hydrophobic core of ubiquitin

1997 • 181 citations

Accurate prediction of the stability and activity effects of site-directed mutagenesis on a protein core

1991 • 180 citations

Predicting Protein Mutant Energetics by Self-consistent Ensemble Optimization

1994 • 158 citations

Protein design: a perspective from simple tractable models

1998 • 149 citations

Repacking protein cores with backbone freedom: structure prediction for coiled coils.

1995 • 149 citations

Protein design: A perspective from simple tractable models

1998 • 148 citations

Formation and stability of β-hairpin structures in polypeptides

1998 • 148 citations

All in one: a highly detailed rotamer library improves both accuracy and speed in the modelling of sidechains by dead-end elimination

1997 • 146 citations

De novo protein design: from molten globules to native-like states

1993 • 145 citations

Pairwise calculation of protein solvent-accessible surface areas

1998 • 143 citations

A test of the "jigsaw puzzle" model for protein folding by multiple methionine substitutions within the core of T4 lysozyme.

1996 • 140 citations

New Algorithm for Protein Design

1996 • 131 citations

Optimal sequence selection in proteins of known structure by simulated evolution.

1994 • 130 citations

The Role of Backbone Flexibility in the Accommodation of Variants That Repack the Core of T4 Lysozyme

1993 • 122 citations

Genetic algorithms for protein structure prediction

1996 • 120 citations

The Protein Folding Problem and Tertiary Structure Prediction

1994 • 120 citations

Designing amino acid sequences to fold with good hydrophobic cores

1995 • 112 citations

Computer-aided model-building strategies for protein design

1986 • 107 citations

[16] Stabilization of functional proteins by introduction of multiple disulfide bonds

1991 • 98 citations

Engineering of betabellin 14D: Disulfide‐induced folding of a β‐sheet protein

1994 • 95 citations

Coupling backbone flexibility and amino acid sequence selection in protein design

1997 • 91 citations

Radical performance enhancements for combinatorial optimization algorithms based on the dead-end elimination theorem

1998 • 89 citations

Mean-field minimization methods for biological macromolecules

1996 • 84 citations

Computer search algorithms in protein modification and design

1998 • 84 citations

The construction of metal centers in proteins by rational design

1998 • 75 citations

Computational method for the design of enzymes with altered substrate specificity

1991 • 73 citations

An evaluvation of discrete and continuum search techniques for conformational analysis of side chains in proteins

1995 • 67 citations

Construction of a Blue Copper Analogue through Iterative Rational Protein Design Cycles Demonstrates Principles of Molecular Recognition in Metal Center Formation

1998 • 55 citations

Prediction of protein side chain conformations: a study on the influence of backbone accuracy on conformation stability in the rotamer space

1997 • 53 citations

Design of proteins with hydrophobic and polar amino acids

1998 • 43 citations

The protein folding problem and tertiary structure prediction

1995 • 41 citations

A new method for side-chain conformation prediction using a Hopfield network and reproduced rotamers

1996 • 41 citations

Sequence replacements in the central β‐turn of plastocyanin

1996 • 36 citations

Conserved structural features on protein surfaces: Small exterior hydrophobic clusters

1995 • 33 citations

Are turns required for the folding of ribonuclease T1?

1996 • 31 citations

Optimizing potentials for the inverse protein folding problem

1998 • 30 citations

Designing the hydrophobic core of Thermus flavus malate dehydrogenase based on side-chain packing

1998 • 29 citations

Hydrophobic potential by pairwise surface area sum

1995 • 26 citations

The “Dead-End Elimination” Theorem: A New Approach to the Side-Chain Packing Problem

1994 • 25 citations