(Q30426700)

8 November 2017

Automatic identification and representation of protein binding sites for molecular docking (English)

1 reference

8 November 2017

1 reference

Ruppert J

1

1 reference

PMCID

2143670

8 November 2017

Welch W

series ordinal

2

1 reference

PMCID

2143670

8 November 2017

Jain AN

series ordinal

3

1 reference

8 November 2017

1 March 1997

1 reference

8 November 2017

1 reference

8 November 2017

6

1 reference

8 November 2017

524-533

1 reference

8 November 2017

3

1 reference

Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

8 November 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

Molecular surface representations by sparse critical points

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

FLOG: a system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

The development of a simple empirical scoring function to estimate the binding constant for a protein-ligand complex of known three-dimensional structure

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

Time-efficient docking of flexible ligands into active sites of proteins.

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

"Soft docking": matching of molecular surface cubes

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

Protein docking and complementarity

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

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

20 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

Matching chemistry and shape in molecular docking

26 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2143670

Scoring noncovalent protein-ligand interactions: a continuous differentiable function tuned to compute binding affinities

26 November 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/9070435

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/PRO.5560060302

1 reference

8 November 2017

1 reference

8 November 2017

1 reference

PMCID

2143670