(Q42164220)

17 October 2017

title

Docking multiple conformations of a flexible ligand into a protein binding site using NMR restraints (English)

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17 October 2017

Adam P R Zabell

1

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17 October 2017

Carol Beth Post

series ordinal

2

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17 October 2017

language of work or name

English

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publication date

1 February 2002

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17 October 2017

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17 October 2017

volume

46

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17 October 2017

issue

3

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17 October 2017

page(s)

295-307

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Accuracy of bound peptide structures determined by exchange transferred nuclear Overhauser data: a simulation study.

17 October 2017

cites work

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10017

Molecular surface complementarity at protein-protein interfaces: the critical role played by surface normals at well placed, sparse, points in docking

21 January 2018

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Molecular recognition via face center representation of a molecular surface

21 January 2018

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A method for biomolecular structural recognition and docking allowing conformational flexibility

21 January 2018

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ICM?A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation

21 January 2018

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Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

21 January 2018

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Ligand solvation in molecular docking.

21 January 2018

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DREAM++: flexible docking program for virtual combinatorial libraries

21 January 2018

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Solution structure of a band 3 peptide inhibitor bound to aldolase: a proposed mechanism for regulating binding by tyrosine phosphorylation

21 January 2018

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Monte Carlo-minimization approach to the multiple-minima problem in protein folding

21 January 2018

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Monte Carlo docking of oligopeptides to proteins.

21 January 2018

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Structure and function of the cytoplasmic domain of band 3: center of erythrocyte membrane-peripheral protein interactions

21 January 2018

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Insights into tyrosine phosphorylation control of protein-protein association from the NMR structure of a band 3 peptide inhibitor bound to glyceraldehyde-3-phosphate dehydrogenase

21 January 2018

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The crystal structure of human muscle aldolase at 3.0 A resolution.

21 January 2018

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Activity and specificity of human aldolases

21 January 2018

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

21 January 2018

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CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

21 January 2018

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Equation of State Calculations by Fast Computing Machines

21 January 2018

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AQUA and PROCHECK-NMR: programs for checking the quality of protein structures solved by NMR

21 January 2018

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Protein folding and association: insights from the interfacial and thermodynamic properties of hydrocarbons

21 January 2018

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RFAC, a program for automated NMR R-factor estimation.

21 January 2018

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Solution Structure of the DNA-Binding Protein Sac7d from the Hyperthermophile Sulfolobus acidocaldarius

21 January 2018

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Crystal structure of human muscle aldolase complexed with fructose 1,6-bisphosphate: mechanistic implications

21 January 2018

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Backwards and forwards binding

21 January 2018

1 reference

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Protein Indirect Relaxation Effects in Exchange-Transferred NOESY by a Rate-Matrix Analysis

21 January 2018

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New general approach for determining the solution structure of a ligand bound weakly to a receptor: structure of a fibrinogen Aalpha-like peptide bound to thrombin (S195A) obtained using NOE distance constraints and an ECEPP/3 flexible docking progr

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10017

Soft docking an L and a D peptide to an anticholera toxin antibody using internal coordinate mechanics

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10017

Monte Carlo minimization with thermalization for global optimization of polypeptide conformations in cartesian coordinate space

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10017

Binding of rabbit muscle aldolase to band 3, the predominant polypeptide of the human erythrocyte membrane

21 January 2018

1 reference

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Interactions of glycolytic enzymes with erythrocyte membranes

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10017

A refined three-dimensional solution structure of a carboxy terminal fragment of apolipoprotein CII

21 January 2018

1 reference

https://api.crossref.org/works/10.1002%2FPROT.10017

21 January 2018

Identifiers

DOI

10.1002/PROT.10017

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17 October 2017

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