(Q35829041)

10 August 2017

Molecular evolution of affinity and flexibility in the immune system (English)

1 reference

10 August 2017

Ian F Thorpe

1

1 reference

PMCID

1885586

10 August 2017

Charles L Brooks

series ordinal

2

1 reference

PMCID

1885586

10 August 2017

language of work or name

English

0 references

publication date

8 May 2007

1 reference

Proceedings of the National Academy of Sciences of the United States of America

10 August 2017

1 reference

10 August 2017

104

1 reference

10 August 2017

8821-8826

1 reference

10 August 2017

21

1 reference

Energetics of ligand-induced conformational flexibility in the lactose permease of Escherichia coli

10 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Antibody evolution constrains conformational heterogeneity by tailoring protein dynamics

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Calculation of absolute protein-ligand binding free energy from computer simulations

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Free energies of ligand binding for structurally diverse compounds

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Understanding noncovalent interactions: ligand binding energy and catalytic efficiency from ligand-induced reductions in motion within receptors and enzymes

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Entropy calculation of HIV-1 Env gp120, its receptor CD4, and their complex: an analysis of configurational entropy changes upon complexation

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Revisiting free energy calculations: a theoretical connection to MM/PBSA and direct calculation of the association free energy

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Performance comparison of generalized born and Poisson methods in the calculation of electrostatic solvation energies for protein structures

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Protein stability induced by ligand binding correlates with changes in protein flexibility.

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Changes in structure and dynamics of the Fv fragment of a catalytic antibody upon binding of inhibitor

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

X-ray snapshots of the maturation of an antibody response to a protein antigen

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Antibody multispecificity mediated by conformational diversity

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Approaches to the description and prediction of the binding affinity of small-molecule ligands to macromolecular receptors

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Protein and peptide folding explored with molecular simulations

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

1.85 A structure of anti-fluorescein 4-4-20 Fab

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

High resolution structures of the 4-4-20 Fab-fluorescein complex in two solvent systems: effects of solvent on structure and antigen-binding affinity

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Thermodynamic properties of ligand binding by monoclonal anti-fluorescyl antibodies.

27 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Flexibility and molecular recognition in the immune system.

27 July 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Protein dynamics and the immunological evolution of molecular recognition.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Configurational entropy and cooperativity between ligand binding and dimerization in glycopeptide antibiotics

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Modulating the DNA affinity of Elk-1 with computationally selected mutations

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

The indirect generation of long-distance structural changes in antibodies upon their binding to antigen

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Structure and kinetics of a transient antibody binding intermediate reveal a kinetic discrimination mechanism in antigen recognition

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Conformational substates modulate hydride transfer in dihydrofolate reductase.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Protein folding funnels: the nature of the transition state ensemble

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Ligand configurational entropy and protein binding

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

New analytic approximation to the standard molecular volume definition and its application to generalized Born calculations.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

The Energy Landscapes and Motions of Proteins

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Evaluating the Accuracy of the Quasiharmonic Approximation

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Free energy, entropy, and induced fit in host-guest recognition: calculations with the second-generation mining minima algorithm

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.0610064104

Evaluating the conformational entropy of macromolecules using an energy decomposition approach

21 January 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Calculation of cyclodextrin binding affinities: energy, entropy, and implications for drug design

24 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1885586

Absolute and relative entropies from computer simulation with applications to ligand binding

24 September 2018

1 reference

12 December 2020

Multiple conformational states of proteins: a molecular dynamics analysis of myoglobin

1 reference

12 December 2020

Molecular dynamics of the anti-fluorescein 4-4-20 antigen-binding fragment. 1. Computer simulations

1 reference

12 December 2020

Molecular dynamics of the anti-fluorescein 4-4-20 antigen-binding fragment. 2. Time-resolved fluorescence spectroscopy

1 reference

12 December 2020

Role of electrostatic interactions in the binding of fluorescein by anti-fluorescein antibody 4-4-20

1 reference

12 December 2020

Identifiers

DOI

10.1073/PNAS.0610064104

1 reference

10 August 2017

0 references

1 reference

10 August 2017

1 reference

PMCID

1885586