(Q53118011)

11 May 2018

title

A quantum mechanics/molecular mechanics study on the hydrolysis mechanism of New Delhi metallo-β-lactamase-1. (English)

1 reference

11 May 2018

0 references

2

1 reference

11 May 2018

Mingyue Zheng

9

1 reference

11 May 2018

author name string

Kongkai Zhu

1

1 reference

11 May 2018

Zhongjie Liang

3

1 reference

11 May 2018

Xiangqian Kong

4

1 reference

11 May 2018

Fei Ye

5

1 reference

11 May 2018

Lu Jin

6

1 reference

11 May 2018

Heji Geng

7

1 reference

11 May 2018

Yong Chen

8

1 reference

11 May 2018

Hualiang Jiang

10

1 reference

11 May 2018

Jun-Qian Li

11

1 reference

11 May 2018

Cheng Luo

12

1 reference

11 May 2018

publication date

2 March 2013

1 reference

11 May 2018

Journal of Computer - Aided Molecular Design

published in

1 reference

11 May 2018

volume

27

1 reference

11 May 2018

issue

3

1 reference

11 May 2018

page(s)

247-256

1 reference

11 May 2018

Three decades of beta-lactamase inhibitors

cites work

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Metallo-beta-lactamases: a class apart.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Updated functional classification of beta-lactamases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Metallo-beta-lactamases: novel weaponry for antibiotic resistance in bacteria

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Standard numbering scheme for class B beta-lactamases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Carbapenems: past, present, and future

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Beta-lactamase inhibitors: the story so far.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Characterization of a new metallo-beta-lactamase gene, bla(NDM-1), and a novel erythromycin esterase gene carried on a unique genetic structure in Klebsiella pneumoniae sequence type 14 from India

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Emergence of a new antibiotic resistance mechanism in India, Pakistan, and the UK: a molecular, biological, and epidemiological study

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

The emerging NDM carbapenemases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Genetic features of blaNDM-1-positive Enterobacteriaceae

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Activity of aminoglycosides, including ACHN-490, against carbapenem-resistant Enterobacteriaceae isolates

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Global spread of Carbapenemase-producing Enterobacteriaceae

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Dissemination of NDM-1 positive bacteria in the New Delhi environment and its implications for human health: an environmental point prevalence study.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Crystal structure of NDM-1 reveals a common β-lactam hydrolysis mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Structure of Apo- and Monometalated Forms of NDM-1—A Highly Potent Carbapenem-Hydrolyzing Metallo-β-Lactamase

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

A structural view of the antibiotic degradation enzyme NDM-1 from a superbug

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Structure of New Delhi metallo-β-lactamase 1 (NDM-1)

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Crystal structure of New Delhi metallo-β-lactamase reveals molecular basis for antibiotic resistance

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Metallo-beta-lactamase: structure and mechanism

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Hybrid QM/MM and DFT investigations of the catalytic mechanism and inhibition of the dinuclear zinc metallo-beta-lactamase CcrA from Bacteroides fragilis.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Common mechanistic features among metallo-beta-lactamases: a computational study of Aeromonas hydrophila CphA enzyme

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

A metallo-beta-lactamase enzyme in action: crystal structures of the monozinc carbapenemase CphA and its complex with biapenem

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Mechanistic studies on the mononuclear ZnII-containing metallo-beta-lactamase ImiS from Aeromonas sobria

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Insight into the mechanism of the IMP-1 metallo-beta-lactamase by molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Probing substrate binding to metallo-beta-lactamase L1 from Stenotrophomonas maltophilia by using site-directed mutagenesis

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

QM/MM studies of monozinc β-lactamase CphA suggest that the crystal structure of an enzyme-intermediate complex represents a minor pathway.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Insights into the structure and dynamics of the dinuclear zinc beta-lactamase site from Bacteroides fragilis

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Role of zinc content on the catalytic efficiency of B1 metallo beta-lactamases

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

The mechanism of catalysis and the inhibition of the Bacillus cereus zinc-dependent beta-lactamase

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Molecular basis of NDM-1, a new antibiotic resistance determinant

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

H++: a server for estimating pKas and adding missing hydrogens to macromolecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

The Amber biomolecular simulation programs

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Development and testing of a general amber force field

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Structural Survey of Zinc-Containing Proteins and Development of the Zinc AMBER Force Field (ZAFF)

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Comparison of multiple Amber force fields and development of improved protein backbone parameters

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

The ONIOM-PCM method: Combining the hybrid molecular orbital method and the polarizable continuum model for solvation. Application to the geometry and properties of a merocyanine in solution

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Geometry optimization with QM/MM, ONIOM, and other combined methods. I. Microiterations and constraints.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

On the mechanism of the metallo-beta-lactamase from Bacteroides fragilis

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Protonation state of Asp120 in the binuclear active site of the metallo-beta-lactamase from Bacteroides fragilis

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Intermediate in beta-lactam hydrolysis catalyzed by a dinuclear zinc(II) complex: relevance to the mechanism of metallo-beta-lactamase

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

The Zn2 position in metallo-beta-lactamases is critical for activity: a study on chimeric metal sites on a conserved protein scaffold

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Characterization of purified New Delhi metallo-β-lactamase-1.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

Molecular dynamics with coupling to an external bath

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9630-6

[New Delhi metallo -beta-lactamase-1 (NDM-1) producing bacteria].

21 January 2018

1 reference

12 December 2020

Mechanistic and spectroscopic studies of metallo-β-lactamase NDM-1

1 reference

12 December 2020

Antibiotic deactivation by a dizinc beta-lactamase: mechanistic insights from QM/MM and DFT studies

1 reference

12 December 2020

Mutational analysis of metallo-beta-lactamase CcrA from Bacteroides fragilis

1 reference

12 December 2020

Revised Ambler classification of {beta}-lactamases

1 reference

12 December 2020

10.1007/S10822-012-9630-6

Identifiers

DOI

1 reference

11 May 2018

journals/jcamd/ZhuLLKYJGCZJLL13

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

11 May 2018