The consequences of translational and rotational entropy lost by small molecules on binding to proteins (Q48020849)

From Wikidata

Jump to navigation Jump to search

scientific article published in October 2002

edit

Language	Label	Description	Also known as
English	The consequences of translational and rotational entropy lost by small molecules on binding to proteins	scientific article published in October 2002

Statements

instance of

scholarly article

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

title

The consequences of translational and rotational entropy lost by small molecules on binding to proteins (English)

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

author name string

Christopher W Murray

series ordinal

1

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

Marcel L Verdonk

series ordinal

2

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

publication date

1 October 2002

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

published in

Journal of Computer - Aided Molecular Design

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

volume

16

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

issue

10

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

page(s)

741-753

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

cites work

The additivity of substrate fragments in enzyme-ligand binding

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of a second aryl phosphate-binding site in protein-tyrosine phosphatase 1B: A paradigm for inhibitor design

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identification of novel inhibitors of urokinase via NMR-based screening

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Isn't combinatorial chemistry just chemistry?

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

NMR-Based Discovery of Lead Inhibitors That Block DNA Binding of the Human Papillomavirus E2 Protein

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Entropy in biological binding processes: estimation of translational entropy loss.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

A trivalent system from vancomycin.D-ala-D-Ala with higher affinity than avidin.biotin

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Unraveling principles of lead discovery: from unfrustrated energy landscapes to novel molecular anchors.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Combinatorial target-guided ligand assembly: identification of potent subtype-selective c-Src inhibitors

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Bivalent inhibition of human beta-tryptase

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Discovering novel ligands for macromolecules using X-ray crystallographic screening

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The Design of Leadlike Combinatorial Libraries

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Site-directed ligand discovery

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The price of lost freedom: entropy of bimolecular complex formation

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Entropic Contributions to Rate Accelerations in Enzymic and Intramolecular Reactions and the Chelate Effect

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Three-dimensional structure of the tetragonal crystal form of egg-white avidin in its functional complex with biotin at 2.7 A resolution

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

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

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Novel inhibitors of Erm methyltransferases from NMR and parallel synthesis.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Functional group contributions to drug-receptor interactions.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The SHAPES strategy: an NMR-based approach for lead generation in drug discovery.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Dibasic inhibitors of human mast cell tryptase. Part 1: synthesis and optimization of a novel class of inhibitors

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Avidin

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The statistical-thermodynamic basis for computation of binding affinities: a critical review

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Discovering high-affinity ligands for proteins: SAR by NMR

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

High-throughput crystallography for lead discovery in drug design.

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Novel inhibitors of DNA gyrase: 3D structure based biased needle screening, hit validation by biophysical methods, and 3D guided optimization. A promising alternative to random screening

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Calf spleen purine nucleoside phosphorylase complexed with substrates and substrate analogues

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

The maximal affinity of ligands

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Molecular complexity and its impact on the probability of finding leads for drug discovery

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

On the attribution and additivity of binding energies

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Prediction of binding constants of protein ligands: a fast method for the prioritization of hits obtained from de novo design or 3D database search programs

1 reference

stated in

PubMed

reference URL

https://pubmed.ncbi.nlm.nih.gov/12650591

retrieved

12 December 2020

based on heuristic

inferred from PubMed ID database lookup

Identifiers

DOI

10.1023/A:1022446720849

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

DBLP publication ID

journals/jcamd/MurrayV02

1 reference

stated in

DBLP Dataset 2021-01-02

retrieved

28 January 2021

Dimensions Publication ID

1053486351

0 references

PubMed publication ID

12650591

1 reference

stated in

Europe PubMed Central

PubMed publication ID

12650591

retrieved

7 February 2018

reference URL

http://europepmc.org/abstract/MED/12650591

 

Sitelinks

Wikipedia(0 entries)

edit

Wikibooks(0 entries)

edit

Wikinews(0 entries)

edit

Wikiquote(0 entries)

edit

Wikisource(0 entries)

edit

Wikiversity(0 entries)

edit

Wikivoyage(0 entries)

edit

Wiktionary(0 entries)

edit

Multilingual sites(0 entries)

edit

Retrieved from "https://www.wikidata.org/w/index.php?title=Q48020849&oldid=2209026559"