Docking and scoring of metallo-beta-lactamases inhibitors (Q45162110)

10 December 2017

Docking and scoring of metallo-beta-lactamases inhibitors (English)

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10 December 2017

3

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10 December 2017

Flemming Steen Jørgensen

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5

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10 December 2017

Lars Olsen

1

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10 December 2017

Ingrid Pettersson

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2

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10 December 2017

Hans-Werner Adolph

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4

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10 December 2017

1 April 2004

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Journal of Computer - Aided Molecular Design

10 December 2017

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10 December 2017

18

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10 December 2017

4

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10 December 2017

287-302

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https://scigraph.springernature.com/pub.10.1023/b:jcam.0000046821.15502.71

10 December 2017

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12 December 2020

Inactivation of Aeromonas hydrophila metallo-beta-lactamase by cephamycins and moxalactam

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12 December 2020

Evolution and dissemination of beta-lactamases accelerated by generations of beta-lactam antibiotics

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12 December 2020

Inhibition studies on the metallo-beta-lactamase L1 from Stenotrophomonas maltophilia

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12 December 2020

Standard numbering scheme for class B beta-lactamases

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12 December 2020

The 3-D structure of a zinc metallo-beta-lactamase from Bacillus cereus reveals a new type of protein fold

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12 December 2020

Consensus scoring: A method for obtaining improved hit rates from docking databases of three-dimensional structures into proteins.

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12 December 2020

New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure

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12 December 2020

Thiols as classical and slow-binding inhibitors of IMP-1 and other binuclear metallo-beta-lactamases

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12 December 2020

Development and validation of a genetic algorithm for flexible docking

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12 December 2020

Thiomandelic acid, a broad spectrum inhibitor of zinc beta-lactamases: kinetic and spectroscopic studies

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12 December 2020

Inhibition of metallo-beta-lactamases by a series of mercaptoacetic acid thiol ester derivatives

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12 December 2020

Identification of a series of tricyclic natural products as potent broad-spectrum inhibitors of metallo-beta-lactamases

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12 December 2020

Carbapenem derivatives as potential inhibitors of various beta-lactamases, including class B metallo-beta-lactamases.

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12 December 2020

Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 1. Ligand probe groups with the ability to form two hydrogen bonds

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12 December 2020

Placement of medium-sized molecular fragments into active sites of proteins.

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12 December 2020

Unanticipated inhibition of the metallo-beta-lactamase from Bacteroides fragilis by 4-morpholineethanesulfonic acid (MES): a crystallographic study at 1.85-A resolution

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12 December 2020

Carbapenemases: a problem in waiting?

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12 December 2020

Crystal structure of the IMP-1 metallo beta-lactamase from Pseudomonas aeruginosa and its complex with a mercaptocarboxylate inhibitor: binding determinants of a potent, broad-spectrum inhibitor

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12 December 2020

A New Concept for Multidimensional Selection of Ligand Conformations (MultiSelect) and Multidimensional Scoring (MultiScore) of Protein−Ligand Binding Affinities

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12 December 2020

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

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12 December 2020

Succinic acids as potent inhibitors of plasmid-borne IMP-1 metallo-beta-lactamase

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12 December 2020

The inhibitor thiomandelic acid binds to both metal ions in metallo-beta-lactamase and induces positive cooperativity in metal binding

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12 December 2020

The crystal structure of the L1 metallo-beta-lactamase from Stenotrophomonas maltophilia at 1.7 A resolution

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12 December 2020

Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

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12 December 2020

Virtual screening and fast automated docking methods.

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12 December 2020

Human immunodeficiency virus type-1 protease inhibitors: therapeutic successes and failures, suppression and resistance

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12 December 2020

Antibiotic sensitization using biphenyl tetrazoles as potent inhibitors of Bacteroides fragilis metallo-beta-lactamase

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12 December 2020

Coordination geometries of metal ions in d- or l-captopril-inhibited metallo-beta-lactamases

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12 December 2020

A comparative docking study and the design of potentially selective MMP inhibitors

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12 December 2020

The beta-lactamase cycle: a tale of selective pressure and bacterial ingenuity

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12 December 2020

Development of filter functions for protein-ligand docking

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12 December 2020

Three-dimensional structure of FEZ-1, a monomeric subclass B3 metallo-beta-lactamase from Fluoribacter gormanii, in native form and in complex with D-captopril

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12 December 2020

FlexE: efficient molecular docking considering protein structure variations.

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12 December 2020

The structure of β-lactamases

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12 December 2020

Crystal structure of the zinc-dependent beta-lactamase from Bacillus cereus at 1.9 A resolution: binuclear active site with features of a mononuclear enzyme

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12 December 2020

A fast flexible docking method using an incremental construction algorithm.

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12 December 2020

Appearance of IMP-1 metallo-beta-lactamase in Europe.

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12 December 2020

Crystal structure of the wide-spectrum binuclear zinc beta-lactamase from Bacteroides fragilis

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12 December 2020

N-arylsulfonyl hydrazones as inhibitors of IMP-1 metallo-beta-lactamase

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12 December 2020

Multiple automatic base selection: protein-ligand docking based on incremental construction without manual intervention.

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12 December 2020

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

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12 December 2020

Two-stage method for protein-ligand docking

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12 December 2020

Cysteinyl peptide inhibitors of Bacillus cereus zinc beta-lactamase.

1 reference

12 December 2020

Further development of hydrogen bond functions for use in determining energetically favorable binding sites on molecules of known structure. 2. Ligand probe groups with the ability to form more than two hydrogen bonds

1 reference

12 December 2020

Detailed analysis of scoring functions for virtual screening

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12 December 2020

10.1023/B:JCAM.0000046821.15502.71

Identifiers

DOI

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journals/jcamd/OlsenPHAJ04

10 December 2017

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DBLP Dataset 2021-01-02

28 January 2021

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