Advances in the prediction of protein-peptide binding affinities: implications for peptide-based drug discovery (Q38052156)

27 August 2017

title

Advances in the prediction of protein-peptide binding affinities: implications for peptide-based drug discovery (English)

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27 August 2017

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Joseph Audie

1

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27 August 2017

Jon Swanson

series ordinal

2

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27 August 2017

publication date

1 January 2013

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Chemical Biology and Drug Design

27 August 2017

published in

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27 August 2017

volume

81

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27 August 2017

issue

1

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27 August 2017

page(s)

50-60

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Synthetic therapeutic peptides: science and market

27 August 2017

cites work

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Emerging peptide therapeutics for inflammatory autoimmune diseases

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Peptide drugs to target G protein-coupled receptors

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

The synergistic use of computation, chemistry and biology to discover novel peptide-based drugs: the time is right

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

Binding of antifusion peptides with HIVgp41 from molecular dynamics simulations: quantitative correlation with experiment.

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

On the analysis of protein-protein interactions via knowledge-based potentials for the prediction of protein-protein docking

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Computational methods to predict binding free energy in ligand-receptor complexes

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Force fields for protein simulations

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

The GROMOS software for biomolecular simulation: GROMOS05.

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Prediction of the binding energy for small molecules, peptides and proteins

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Predicting binding affinities of protein ligands from three-dimensional models: application to peptide binding to class I major histocompatibility proteins.

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Predicting peptide binding affinities to MHC molecules using a modified semi-empirical scoring function

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

A novel empirical free energy function that explains and predicts protein-protein binding affinities.

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Development and validation of an empirical free energy function for calculating protein-protein binding free energy surfaces

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Continued development of an empirical function for predicting and rationalizing protein-protein binding affinities.

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Knowledge-based potentials for proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

A physical reference state unifies the structure-derived potential of mean force for protein folding and binding.

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

A knowledge-based energy function for protein-ligand, protein-protein, and protein-DNA complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

Quantitative prediction of protein-protein binding affinity with a potential of mean force considering volume correction.

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

Prediction of protein-protein binding free energies

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Protein-protein binding affinity prediction on a diverse set of structures

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

New compstatin variants through two de novo protein design frameworks

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Identification and rational redesign of peptide ligands to CRIP1, a novel biomarker for cancers

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Deciphering the Arginine-binding preferences at the substrate-binding groove of Ser/Thr kinases by computational surface mapping

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

Peptide binding in OppA, the crystal structures of the periplasmic oligopeptide binding protein in the unliganded form and in complex with lysyllysine

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

Relating structure to thermodynamics: The crystal structures and binding affinity of eight OppA-peptide complexes

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Crystallographic and calorimetric analysis of peptide binding to OppA protein

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

Comparative Binding Energy (COMBINE) Analysis of OppA−Peptide Complexes to Relate Structure to Binding Thermodynamics

21 January 2018

1 reference

https://api.crossref.org/works/10.1111%2FCBDD.12076

Scoring by Intermolecular Pairwise Propensities of Exposed Residues (SIPPER): A New Efficient Potential for Protein−Protein Docking

21 January 2018

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https://api.crossref.org/works/10.1111%2FCBDD.12076

21 January 2018

Identifiers

DOI

10.1111/CBDD.12076

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27 August 2017

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