(Q36744045)

16 August 2017

Molecular dynamics and free-energy calculations applied to affinity maturation in antibody 48G7. (English)

1 reference

16 August 2017

1 reference

L T Chong

1

1 reference

16 August 2017

Y Duan

2

1 reference

16 August 2017

L Wang

3

1 reference

16 August 2017

I Massova

4

1 reference

16 August 2017

P A Kollman

5

1 reference

16 August 2017

language of work or name

English

0 references

publication date

1 December 1999

1 reference

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

16 August 2017

1 reference

16 August 2017

96

1 reference

16 August 2017

25

1 reference

16 August 2017

14330-14335

1 reference

Immunological origins of binding and catalysis in a Diels-Alderase antibody

16 August 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Structural insights into the evolution of an antibody combining site

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Crystal structures of the free and liganded form of an esterolytic catalytic antibody

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Reduced surface: an efficient way to compute molecular surfaces

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

The immunological evolution of catalysis

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Salt effects on ligand-DNA binding. Minor groove binding antibiotics.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Somatic generation of antibody diversity

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Antibody diversity: somatic hypermutation of rearranged VH genes

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Cell Selection by Antigen in the Immune Response

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Electrostatic interactions in macromolecules: theory and applications

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Electrostatic fields in antibodies and antibody/antigen complexes

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Electrostatic interactions in hirudin-thrombin binding.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Salt effects on protein-DNA interactions. The lambda cI repressor and EcoRI endonuclease.

28 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

What determines the van der Waals coefficient beta in the LIE (linear interaction energy) method to estimate binding free energies using molecular dynamics simulations?

28 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Molecular dynamics and continuum solvent studies of the stability of polyG-polyC and polyA-polyT DNA duplexes in solution.

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

Empirical free energy calculations: a blind test and further improvements to the method.

5 September 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=24436

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

5 September 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.96.25.14330

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.96.25.14330

Calculation of electrostatic potentials in an enzyme active site

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1073%2FPNAS.96.25.14330

A new method for predicting binding affinity in computer-aided drug design

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/10588705

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Ligand binding affinity prediction by linear interaction energy methods

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/10588705

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.96.25.14330

1 reference

16 August 2017

0 references

1 reference

16 August 2017

PubMed publication ID

10588705

1 reference