(Q47396241)

15 January 2018

title

Ligand-supported Homology Modelling of Protein Binding-sites using Knowledge-based Potentials (English)

1 reference

https://api.crossref.org/works/10.1016/J.JMB.2003.09.032

30 March 2024

1 reference

PubMed ID

14607122

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A14607122

30 March 2024

1 reference

https://api.crossref.org/works/10.1016/J.JMB.2003.09.032

30 March 2024

author name string

Andreas Evers

1

1 reference

15 January 2018

Holger Gohlke

2

1 reference

15 January 2018

Gerhard Klebe

3

1 reference

15 January 2018

language of work or name

English

0 references

publication date

1 November 2003

1 reference

15 January 2018

21 November 2003

1 reference

National Center for Biotechnology Information

PubMed ID

14607122

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=14607122

full work available at URL

30 March 2024

number of pages

19

1 reference

based on heuristic

inferred from page(s)

https://api.elsevier.com/content/article/PII:S0022283603011884?httpAccept=text/xml

1 reference

https://api.crossref.org/works/10.1016/J.JMB.2003.09.032

https://api.elsevier.com/content/article/PII:S0022283603011884?httpAccept=text/plain

30 March 2024

1 reference

https://api.crossref.org/works/10.1016/J.JMB.2003.09.032

Journal of Molecular Biology

30 March 2024

published in

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15 January 2018

volume

334

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15 January 2018

page(s)

327-345

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15 January 2018

issue

2

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15 January 2018

Initial sequencing and analysis of the human genome

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Automated docking and molecular dynamics simulations of nimesulide in the cyclooxygenase active site of human prostaglandin-endoperoxide synthase-2 (COX-2)

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Regioselectivity of CYP2B6: homology modeling, molecular dynamics simulation, docking

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Computational model of the complex between GR113808 and the 5-HT4 receptor guided by site-directed mutagenesis and the crystal structure of rhodopsin

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Molecular modeling of the interactions of glutamate carboxypeptidase II with its potent NAAG-based inhibitors

30 March 2024

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Homology modeling of gelatinase catalytic domains and docking simulations of novel sulfonamide inhibitors

30 March 2024

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Pseudo-receptor modeling: a new concept for the three-dimensional construction of receptor binding sites

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Molecular design using the minireceptor concept

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A novel modeling protocol for protein receptors guided by bound-ligand conformation.

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Homology model directed alignment selection for comparative molecular field analysis: application to photosystem II inhibitors

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Docking ligands onto binding site representations derived from proteins built by homology modelling.

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30 March 2024

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30 March 2024

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Methodological developments and strategies for a fast flexible superposition of drug-size molecules

30 March 2024

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30 March 2024

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30 March 2024

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FlexE: efficient molecular docking considering protein structure variations.

30 March 2024

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Empirical potentials and functions for protein folding and binding.

30 March 2024

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30 March 2024

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30 March 2024

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Comparative protein modelling by satisfaction of spatial restraints

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Crystal structures of human factor Xa complexed with potent inhibitors

30 March 2024

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Structural basis for chemical inhibition of human blood coagulation factor Xa

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Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa

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X-ray structure of active site-inhibited clotting factor Xa. Implications for drug design and substrate recognition

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Protein folding: the endgame

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Protein sidechain conformer prediction: a test of the energy function

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Extending the accuracy limits of prediction for side-chain conformations

30 March 2024

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pH-dependent binding modes observed in trypsin crystals: lessons for structure-based drug design

30 March 2024

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Statistical thermodynamic linkage between conformational and binding equilibria.

30 March 2024

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Multiple diverse ligands binding at a single protein site: a matter of pre-existing populations

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Folding and binding cascades: shifts in energy landscapes

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30 March 2024

Identifiers

1 reference

15 January 2018

PubMed ID

14607122

1 reference

15 January 2018