Hydrolysis of cephalexin and meropenem by New Delhi metallo-β-lactamase: the substrate protonation mechanism is drug dependent

Enhancing Important Fluctuations: Rare Events and Metadynamics from a Conceptual Viewpoint

(2016) Omar Valsson et al.   Annual Review of Physical Chemistry

Sampling free energy surfaces as slices by combining umbrella sampling and metadynamics

(2016) Shalini Awasthi et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Identification of a Novel NDM Variant, NDM-13, from a Multidrug-Resistant Escherichia coli Clinical Isolate in Nepal

(2015) Basudha Shrestha et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Overcoming differences: The catalytic mechanism of metallo-β-lactamases

(2015) María-Rocío Meini et al.   FEBS LETTERS

Mechanism of Meropenem Hydrolysis by New Delhi Metallo β-Lactamase

(2015) Ravi Tripathi et al.   ACS Catalysis

Monitoring Conformational Changes in the NDM-1 Metallo-β-lactamase by19F NMR Spectroscopy

(2014) Anna M. Rydzik et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

NDM-12, a Novel New Delhi Metallo-β-Lactamase Variant from a Carbapenem-Resistant Escherichia coli Clinical Isolate in Nepal

(2014) Tatsuya Tada et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Spectroscopic and Mechanistic Studies of Heterodimetallic Forms of Metallo-β-lactamase NDM-1

(2014) Hao Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Structural and Mechanistic Insights into NDM-1 Catalyzed Hydrolysis of Cephalosporins

(2014) Han Feng et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Combined Quantum Mechanics/Molecular Mechanics (QM/MM) Methods in Computational Enzymology

(2013) Marc W. van der Kamp et al.   BIOCHEMISTRY

NDM-1, the ultimate promiscuous enzyme: substrate recognition and catalytic mechanism

(2013) Youngchang Kim et al.   FASEB JOURNAL

Emergence of New Delhi metallo-β-lactamase type 1-producing Enterobacteriaceae and non-Enterobacteriaceae: global case detection and bacterial surveillance

(2013) Greta Bushnell et al.   INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES

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

(2013) Kongkai Zhu et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

New Delhi Metallo-β-Lactamase I: Substrate Binding and Catalytic Mechanism

(2013) Min Zheng et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Metallo-β-lactamase structure and function

(2012) Timothy Palzkill   Annals of the New York Academy of Sciences

Mechanistic and Spectroscopic Studies of Metallo-β-lactamase NDM-1

(2012) Hao Yang et al.   BIOCHEMISTRY

New Delhi Metallo-β-Lactamase: Structural Insights into β-Lactam Recognition and Inhibition

(2012) Dustin T. King et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

(2011) HongMin Zhang et al.   FASEB JOURNAL

The emerging NDM carbapenemases

(2011) Patrice Nordmann et al.   TRENDS IN MICROBIOLOGY

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

(2010) Karthikeyan K Kumarasamy et al.   LANCET INFECTIOUS DISEASES

The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building

(2010) François-Yves Dupradeau et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Characterization of a New Metallo- -Lactamase Gene, blaNDM-1, and a Novel Erythromycin Esterase Gene Carried on a Unique Genetic Structure in Klebsiella pneumoniae Sequence Type 14 from India

(2009) D. Yong et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Motion of the Zinc Ions in Catalysis by a Dizinc Metallo-β-Lactamase

(2009) Robert M. Breece et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Differential Binding of Co(II) and Zn(II) to Metallo-β-Lactamase Bla2 fromBacillus anthracis

(2009) Megan J. Hawk et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Role of the Zn1and Zn2sites in Metallo-β-lactamase L1

(2008) Zhenxin Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Trapping and Characterization of a Reaction Intermediate in Carbapenem Hydrolysis byB. cereusMetallo-β-lactamase

(2008) Mariana F. Tioni et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Metadynamics: a method to simulate rare events and reconstruct the free energy in biophysics, chemistry and material science

(2008) Alessandro Laio et al.   REPORTS ON PROGRESS IN PHYSICS