Computational Discovery of Putative Leads for Drug Repositioning through Drug-Target Interaction Prediction

New Antimicrobial Approaches: Reuse of Old Drugs

(2016) Dianella Savoia   CURRENT DRUG TARGETS

A Multilayer Network Approach for Guiding Drug Repositioning in Neglected Diseases

(2016) Ariel José Berenstein et al.   PLoS Neglected Tropical Diseases

Systematic Drug Repositioning for a Wide Range of Diseases with Integrative Analyses of Phenotypic and Molecular Data

(2015) Hiroaki Iwata et al.   Journal of Chemical Information and Modeling

The I-TASSER Suite: protein structure and function prediction

(2015) Jianyi Yang et al.   NATURE METHODS

Antibiofilm Properties of Acetic Acid

(2015) Thomas Bjarnsholt et al.   Advances in Wound Care

The Antibacterial Activity of Acetic Acid against Biofilm-Producing Pathogens of Relevance to Burns Patients

(2015) Fenella D. Halstead et al.   PLoS One

Fusidic Acid Targets Elongation Factor G in Several Stages of Translocation on the Bacterial Ribosome

(2014) Anneli Borg et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

UniProt: a hub for protein information

(2014)   NUCLEIC ACIDS RESEARCH

NAMPT and NAPRT1: novel polymorphisms and distribution of variants between normal tissues and tumor samples

(2014) Sara Duarte-Pereira et al.   Scientific Reports

Platforms for antibiotic discovery

(2013) Kim Lewis   NATURE REVIEWS DRUG DISCOVERY

Ribosome-targeting antibiotics and mechanisms of bacterial resistance

(2013) Daniel N. Wilson   NATURE REVIEWS MICROBIOLOGY

Data, information, knowledge and principle: back to metabolism in KEGG

(2013) Minoru Kanehisa et al.   NUCLEIC ACIDS RESEARCH

Data mining in the Life Sciences with Random Forest: a walk in the park or lost in the jungle?

(2012) W. G. Touw et al.   BRIEFINGS IN BIOINFORMATICS

Drug–target interaction prediction by random walk on the heterogeneous network

(2012) Xing Chen et al.   Molecular BioSystems

Prediction of chemical–protein interactions: multitarget-QSAR versus computational chemogenomic methods

(2012) Feixiong Cheng et al.   Molecular BioSystems

BioLiP: a semi-manually curated database for biologically relevant ligand–protein interactions

(2012) Jianyi Yang et al.   NUCLEIC ACIDS RESEARCH

Antibacterial activity of statins: a comparative study of Atorvastatin, Simvastatin, and Rosuvastatin

(2012) Majed Masadeh et al.   Annals of Clinical Microbiology and Antimicrobials

Prediction of Drug-Target Interactions and Drug Repositioning via Network-Based Inference

(2012) Feixiong Cheng et al.   PLoS Computational Biology

Short- and medium-chain fatty acids exhibit antimicrobial activity for oral microorganisms

(2011) Chifu B. Huang et al.   ARCHIVES OF ORAL BIOLOGY

Exploiting drug-disease relationships for computational drug repositioning

(2011) J. T. Dudley et al.   BRIEFINGS IN BIOINFORMATICS

In silico repositioning of approved drugs for rare and neglected diseases

(2011) Sean Ekins et al.   DRUG DISCOVERY TODAY

Drug repositioning in the treatment of malaria and TB

(2011) Alexis Nzila et al.   Future Medicinal Chemistry

Fast docking using the CHARMM force field with EADock DSS

(2011) Aurélien Grosdidier et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

SwissDock, a protein-small molecule docking web service based on EADock DSS

(2011) A. Grosdidier et al.   NUCLEIC ACIDS RESEARCH

SuperTarget goes quantitative: update on drug-target interactions

(2011) N. Hecker et al.   NUCLEIC ACIDS RESEARCH

Studies on the Antibacterial Effects of Statins - In Vitro and In Vivo

(2011) Peter Bergman et al.   PLoS One

Computational Repositioning of the Anticonvulsant Topiramate for Inflammatory Bowel Disease

(2011) J. T. Dudley et al.   Science Translational Medicine

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework

(2010) Y. Yamanishi et al.   BIOINFORMATICS

I-TASSER: a unified platform for automated protein structure and function prediction

(2010) Ambrish Roy et al.   Nature Protocols

How antibiotics kill bacteria: from targets to networks

(2010) Michael A. Kohanski et al.   NATURE REVIEWS MICROBIOLOGY

Predicting Drug-Target Interaction Networks Based on Functional Groups and Biological Features

(2010) Zhisong He et al.   PLoS One

Ribosomal Translocation: One Step Closer to the Molecular Mechanism

(2009) Shinichiro Shoji et al.   ACS Chemical Biology

Supervised prediction of drug–target interactions using bipartite local models

(2009) Kevin Bleakley et al.   BIOINFORMATICS

The antimicrobial effect of acetic acid—An alternative to common local antiseptics?

(2009) H. Ryssel et al.   BURNS

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

CHARMM: The biomolecular simulation program

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

Prediction of drug-target interaction networks from the integration of chemical and genomic spaces

(2008) Y. Yamanishi et al.   BIOINFORMATICS

I-TASSER server for protein 3D structure prediction

(2008) Yang Zhang   BMC BIOINFORMATICS

Characterization of the Accessory Sec System of Staphylococcus aureus

(2008) I. R. Siboo et al.   JOURNAL OF BACTERIOLOGY

STRING 8--a global view on proteins and their functional interactions in 630 organisms

(2008) L. J. Jensen et al.   NUCLEIC ACIDS RESEARCH

Communicability in complex networks

(2008) Ernesto Estrada et al.   PHYSICAL REVIEW E

FACTS: Fast analytical continuum treatment of solvation

(2007) Urs Haberthür et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY