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Rotamer libraries in the 21st century

författare

Roland Dunbrack

publicerad i: Current Opinion in Structural Biology

utgivningsår: 2002-08

språk: engelska

huvudämne: rotamer

Refererar artiklar 54

Datum

Titel

Författare

2002-02-01

Side-chain modeling with an optimized scoring function

Nick Grishin
2002-02-01

Entropy calculations on the molten globule state of a protein: side-chain entropies of alpha-lactalbumin

Alan Mark, Wilfred F van Gunsteren
2002-03-01

Chi(1) rotamer populations and angles of mobile surface side chains are accurately predicted by a torsion angle database potential of mean force

G. Marius Clore
2001-01-01

The interrelationships of side-chain and main-chain conformations in proteins

Debnath Pal
2001-05-01

Analysis of a data set of paired uncomplexed protein structures: new metrics for side-chain flexibility and model evaluation.
2001-01-01

Rotamer strain energy in protein helices - quantification of a major force opposing protein folding
2001-10-01

The energetics of off-rotamer protein side-chain conformations
2001-12-01

Modelling protein side-chain conformations using constraint logic programming
2001-08-01

Incorporating knowledge-based biases into an energy-based side-chain modeling method: application to comparative modeling of protein structure.

Tom Blundell
2001-09-11

Conversion of monomeric protein L to an obligate dimer by computational protein design

David Baker
2001-12-18

Side-chain repacking calculations for predicting structures and stabilities of heterodimeric coiled coils
2001-08-01

Excluded volume in protein side-chain packing.

Eugene I. Shakhnovich
2001-08-01

Knowledge-based potential defined for a rotamer library to design protein sequences
2001-03-01

Generalized dead-end elimination algorithms make large-scale protein side-chain structure prediction tractable: implications for protein design and structural genomics.
2001-02-01

Statistical theory for protein combinatorial libraries. Packing interactions, backbone flexibility, and the sequence variability of a main-chain structure.
2000

The penultimate rotamer library

Jane Shelby Richardson, David C. Richardson
2000-08-01

An atoms-in-molecules study of the genetically-encoded amino acids: I. Effects of conformation and of tautomerization on geometric, atomic, and bond properties
2000-05-01

Side-chain flexibility in proteins upon ligand binding.

Rafael J. Najmanovich
2000-12-01

Dramatic structural and thermodynamic consequences of repacking a protein's hydrophobic core

Axel T. Brunger
2000-04-01

Deterministic features of side-chain main-chain hydrogen bonds in globular protein structures
2000-09-12

Native protein sequences are close to optimal for their structures

David Baker
2000-08-01

Automatic protein design with all atom force-fields by exact and heuristic optimization

Shoshana Wodak
2000-06-01

Trading accuracy for speed: A quantitative comparison of search algorithms in protein sequence design
2000-08-01

Side-chain conformational entropy in protein unfolded states
1999-01-01

Visualizing and quantifying molecular goodness-of-fit: small-probe contact dots with explicit hydrogen atoms

David C. Richardson, Jane Shelby Richardson
1999-01-01

Asparagine and glutamine rotamers: B-factor cutoff and correction of amide flips yield distinct clustering
1999-05-01

Protein side-chain conformation: a systematic variation of chi 1 mean values with resolution - a consequence of multiple rotameric states?

Janet Thornton
1999-12

Rotamer strain as a determinant of protein structural specificity
1999-01-29

Asparagine and glutamine: using hydrogen atom contacts in the choice of side-chain amide orientation

David C. Richardson, Jane Shelby Richardson
1999-08-01

Improving macromolecular electrostatics calculations
1999-03-01

Hydrogen bonds between short polar side chains and peptide backbone: prevalence in proteins and effects on helix-forming propensities
1999-12-01

Carbonyl-carbonyl interactions stabilize the partially allowed Ramachandran conformations of asparagine and aspartic acid.

Charlotte Deane, Tom Blundell

Artikel - wd:Q28216942

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