(Q30367220)

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Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble.

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scholarly article

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18205727%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

Novel druggable hot spots in avian influenza neuraminidase H5N1 revealed by computational solvent mapping of a reduced and representative receptor ensemble (English)

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Europe PubMed Central

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:18205727%20AND%20SRC:MED&resulttype=core&format=json

1 January 2020

avian influenza

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based on heuristic

inferred from title

5

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1 January 2020

7

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1 January 2020

author name string

Melissa R Landon

1

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1 January 2020

Rommie E Amaro

2

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1 January 2020

Riccardo Baron

3

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1 January 2020

Chi Ho Ngan

4

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1 January 2020

J Andrew McCammon

6

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1 January 2020

publication date

17 January 2008

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1 January 2020

Chemical Biology and Drug Design

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1 January 2020

71

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1 January 2020

2

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1 January 2020

106-116

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1 January 2020

An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

1 reference

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Dynamics, hydration, and motional averaging of a loop-gated artificial protein cavity: the W191G mutant of cytochrome c peroxidase in water as revealed by molecular dynamics simulations

1 reference

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Exploring experimental sources of multiple protein conformations in structure-based drug design.

1 reference

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1 reference

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Antiviral agents active against influenza A viruses.

1 reference

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20 June 2018

The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.

1 reference

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20 June 2018

Probing hot spots at protein-ligand binding sites: a fragment-based approach using biophysical methods

1 reference

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20 June 2018

Biomolecular modeling: Goals, problems, perspectives

1 reference

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20 June 2018

Molecular dynamics: survey of methods for simulating the activity of proteins

1 reference

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MAP kinase p38 inhibitors: clinical results and an intimate look at their interactions with p38alpha protein

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20 June 2018

Scalable molecular dynamics with NAMD

1 reference

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Accounting for global protein deformability during protein-protein and protein-ligand docking

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The GROMOS software for biomolecular simulation: GROMOS05.

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Discovery of a novel binding trench in HIV integrase.

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Structure-based design of aliskiren, a novel orally effective renin inhibitor

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20 June 2018

Protein flexibility and computer-aided drug design

1 reference

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20 June 2018

Protein flexibility and drug design: how to hit a moving target.

1 reference

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Computational mapping identifies the binding sites of organic solvents on proteins

1 reference

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20 June 2018

Comparison of efficacies of RWJ-270201, zanamivir, and oseltamivir against H5N1, H9N2, and other avian influenza viruses

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2438278

20 June 2018

Experimental and computational mapping of the binding surface of a crystalline protein

1 reference

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20 June 2018

Selection of influenza virus mutants in experimentally infected volunteers treated with oseltamivir

1 reference

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20 June 2018

Developing a dynamic pharmacophore model for HIV-1 integrase.

1 reference

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20 June 2018

Locating and characterizing binding sites on proteins

1 reference

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20 June 2018

Consistency in structural energetics of protein folding and peptide recognition

1 reference

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Discovering high-affinity ligands for proteins: SAR by NMR

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Improved sensitivity of profile searches through the use of sequence weights and gap excision.

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Satisfying hydrogen bonding potential in proteins

1 reference

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20 June 2018

Classical electrostatics in biology and chemistry

1 reference

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20 June 2018

Structure of the influenza virus glycoprotein antigen neuraminidase at 2.9 A resolution

1 reference

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20 June 2018

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

1 reference

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20 June 2018

Three-dimensional structure of neuraminidase of subtype N9 from an avian influenza virus.

1 reference

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1 reference

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1 reference

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12 December 2020

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10.1111/J.1747-0285.2007.00614.X

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1 January 2020

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1 January 2020

PubMed publication ID

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1 January 2020

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