Combinatorial computational method gives new picomolar ligands for a known enzyme (Q27637537)

4 July 2017

Combinatorial computational method gives new picomolar ligands for a known enzyme (English)

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4 July 2017

Eugene I. Shakhnovich

8

object named as

Eugene I Shakhnovich

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Bartosz Andrzej Grzybowski

4 July 2017

1

object named as

Bartosz A Grzybowski

1 reference

4 July 2017

7

George M Whitesides

1 reference

4 July 2017

Alexey V Ishchenko

2

1 reference

4 July 2017

Chu-Young Kim

3

1 reference

4 July 2017

George Topalov

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1 reference

4 July 2017

Robert Chapman

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1 reference

4 July 2017

David W Christianson

6

1 reference

4 July 2017

language of work or name

English

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publication date

29 January 2002

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

4 July 2017

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4 July 2017

99

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4 July 2017

1270-1273

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4 July 2017

3

1 reference

Refined structure of human carbonic anhydrase II at 2.0 A resolution

4 July 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

The Protein Data Bank: a computer-based archival file for macromolecular structures

20 March 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Molecular Recognition of Protein−Ligand Complexes: Applications to Drug Design

20 March 2017

2 references

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

20 March 2017

https://api.crossref.org/works/10.1073/PNAS.032673399

Biopharmaceutics and pharmacokinetics in drug research

22 April 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Combinatorial chemistry and contemporary pharmacology.

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

New approaches to rational drug design

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Combinatorial docking and combinatorial chemistry: design of potent non-peptide thrombin inhibitors

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Will combinatorial chemistry deliver real medicines?

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Computational methods to predict binding free energy in ligand-receptor 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=122179

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

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Analysis of knowledge-based protein-ligand potentials using a self-consistent method

29 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Empirical scoring functions: I. The development of a fast empirical scoring function to estimate the binding affinity of ligands in receptor complexes.

2 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=122179

Equation of State Calculations by Fast Computing Machines

2 June 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.032673399

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

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.032673399

A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.032673399

Identification of two hydrophobic patches in the active-site cavity of human carbonic anhydrase II by solution-phase and solid-state studies and their use in the development of tight-binding inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.032673399

Subnanomolar Inhibitors from Computer Screening: A Model Study Using Human Carbonic Anhydrase II

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.032673399

Evaluation of a knowledge-based potential of mean force for scoring docked protein-ligand complexes

21 January 2018

1 reference

https://api.crossref.org/works/10.1073%2FPNAS.032673399

Combination of bovine carbonic anhydrase with a fluorescent sulfonamide

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/11818565

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1073/PNAS.032673399

1 reference

4 July 2017

0 references

1 reference

4 July 2017

1 reference