Structural insights of metallo-beta-lactamase revealed an effective way of inhibition of enzyme by natural inhibitors

CAVER Analyst 2.0: analysis and visualization of channels and tunnels in protein structures and molecular dynamics trajectories

(2018) Adam Jurcik et al.   BIOINFORMATICS

Role of the Bound Phospholipids in the Structural Stability of Cholesteryl Ester Transfer Protein

(2018) Prasanna D. Revanasiddappa et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Discovery, research, and development of new antibiotics: the WHO priority list of antibiotic-resistant bacteria and tuberculosis

(2018) Evelina Tacconelli et al.   LANCET INFECTIOUS DISEASES

Probing the interaction of l -captopril with metallo-β-lactamase CcrA by fluorescence spectra and molecular dynamic simulation

(2018) Penghui Shi et al.   LUMINESCENCE

Inter-subunit interactions drive divergent dynamics in mammalian and Plasmodium actin filaments

(2018) Ross G. Douglas et al.   PLOS BIOLOGY

Past and Present Perspectives on β-Lactamases

(2018) Karen Bush   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Tackling the Antibiotic Resistance Caused by Class A β-Lactamases through the Use of β-Lactamase Inhibitory Protein

(2018) Warawan Eiamphungporn et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structural insights into pro-aggregation effects of C. elegans CRAM-1 and its human ortholog SERF2

(2018) Meenakshisundaram Balasubramaniam et al.   Scientific Reports

A global priority list of the TOp TEn resistant Microorganisms (TOTEM) study at intensive care: a prioritization exercise based on multi-criteria decision analysis

(2018) Jordi Rello et al.   EUROPEAN JOURNAL OF CLINICAL MICROBIOLOGY & INFECTIOUS DISEASES

Targeting the NF-κB/IκBα complex via fragment-based E-Pharmacophore virtual screening and binary QSAR models

(2018) Tarek Kanan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Pharmacophore modelling, atom-based 3D-QSAR generation and virtual screening of molecules projected for mPGES-1 inhibitory activity

(2017) S. Misra et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

A unique profilin-actin interface is important for malaria parasite motility

(2017) Catherine A. Moreau et al.   PLoS Pathogens

Malaria parasite LIMP protein regulates sporozoite gliding motility and infectivity in mosquito and mammalian hosts

(2017) Jorge M Santos et al.   eLife

Potential inhibitors designed against NDM-1 type metallo-β-lactamases: an attempt to enhance efficacies of antibiotics against multi-drug-resistant bacteria

(2017) Asad U. Khan et al.   Scientific Reports

Structural Insights into Recognition of Hydrolyzed Carbapenems and Inhibitors by Subclass B3 Metallo-β-Lactamase SMB-1

(2016) Jun-ichi Wachino et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Insights into Protein–Ligand Interactions: Mechanisms, Models, and Methods

(2016) Xing Du et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Structure and dynamics of the multi-domain resuscitation promoting factor RpfB from Mycobacterium tuberculosis

(2016) Alessia Ruggiero et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structural insight into selective phosphodiesterase 4B inhibitors: pharmacophore-based virtual screening, docking, and molecular dynamics simulations

(2016) Vidushi Sharma et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Antibiotic resistance is the quintessential One Health issue

(2016) T. P. Robinson et al.   TRANSACTIONS OF THE ROYAL SOCIETY OF TROPICAL MEDICINE AND HYGIENE

Structural Basis of Metallo-β-Lactamase Inhibition by Captopril Stereoisomers

(2015) Jürgen Brem et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Identification and Validation Novel of VIM-2 Metallo-β-lactamase Tripeptide Inhibitors

(2015) Jing Xiao et al.   Molecular Informatics

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Discovery and preclinical development of new antibiotics

(2014) Diarmaid Hughes et al.   UPSALA JOURNAL OF MEDICAL SCIENCES

A Chrysin Derivative Suppresses Skin Cancer Growth by Inhibiting Cyclin-dependent Kinases

(2013) Haidan Liu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

21st Century natural product research and drug development and traditional medicines

(2013) Linh T. Ngo et al.   NATURAL PRODUCT REPORTS

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

(2012) Xuan-Yu Meng et al.   Current Computer-Aided Drug Design

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations

(2012) R. Anandakrishnan et al.   NUCLEIC ACIDS RESEARCH

Mechanisms of Loss of Functions of Human Angiogenin Variants Implicated in Amyotrophic Lateral Sclerosis

(2012) Aditya K. Padhi et al.   PLoS One

CAVER 3.0: A Tool for the Analysis of Transport Pathways in Dynamic Protein Structures

(2012) Eva Chovancova et al.   PLoS Computational Biology

Serratia Infections: from Military Experiments to Current Practice

(2011) S. D. Mahlen   CLINICAL MICROBIOLOGY REVIEWS

Will new antimicrobials overcome resistance among Gram-negatives?

(2011) Matteo Bassetti et al.   Expert Review of Anti-Infective Therapy

Novel insights into the structural requirements for the design of selective and specific aldose reductase inhibitors

(2011) Hirdesh Kumar et al.   JOURNAL OF MOLECULAR MODELING

Three Decades of  -Lactamase Inhibitors

(2010) S. M. Drawz et al.   CLINICAL MICROBIOLOGY REVIEWS

Updated Functional Classification of  -Lactamases

(2009) K. Bush et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Beta-lactam antibiotics: from antibiosis to resistance and bacteriology

(2009) KOK-FAI KONG et al.   APMIS

CHARMM: The biomolecular simulation program

(2009) B. R. Brooks et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation