Identifying Protein Features Responsible for Improved Drug Repurposing Accuracies Using the CANDO Platform: Implications for Drug Design

Targeting the β-clamp in Helicobacter pylori with FDA-approved drugs reveals micromolar inhibition by diflunisal

(2017) Preeti Pandey et al.   FEBS LETTERS

Identification of drug candidates that enhance pyrazinamide activity from a clinical compound library

(2017) Hongxia Niu et al.   Emerging Microbes & Infections

Exploring Polypharmacology in Drug Discovery and Repurposing Using the CANDO Platform

(2016) Gaurav Chopra et al.   CURRENT PHARMACEUTICAL DESIGN

Combating Ebola with Repurposed Therapeutics Using the CANDO Platform

(2016) Gaurav Chopra et al.   MOLECULES

Predicting the Future — Big Data, Machine Learning, and Clinical Medicine

(2016) Ziad Obermeyer et al.   NEW ENGLAND JOURNAL OF MEDICINE

Inhibition of O-GlcNAc transferase activity reprograms prostate cancer cell metabolism

(2016) Harri M. Itkonen et al.   Oncotarget

Toward Repurposing Metformin as a Precision Anti-Cancer Therapy Using Structural Systems Pharmacology

(2016) Thomas Hart et al.   Scientific Reports

Role of computer-aided drug design in modern drug discovery

(2015) Stephani Joy Y. Macalino et al.   ARCHIVES OF PHARMACAL RESEARCH

Relating Essential Proteins to Drug Side-Effects Using Canonical Component Analysis: A Structure-Based Approach

(2015) Tianyun Liu et al.   Journal of Chemical Information and Modeling

Multiscale Modelling of Relationships between Protein Classes and Drug Behavior Across all Diseases Using the CANDO Platform

(2015) Geetika Sethi et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Machine learning applications in cancer prognosis and prediction

(2015) Konstantina Kourou et al.   Computational and Structural Biotechnology Journal

CANDO and the infinite drug discovery frontier

(2014) Mark Minie et al.   DRUG DISCOVERY TODAY

Polypharmacology: Challenges and Opportunities in Drug Discovery

(2014) Andrew Anighoro et al.   JOURNAL OF MEDICINAL CHEMISTRY

In vitro and in vivo anti-malarial activity of tigecycline, a glycylcycline antibiotic, in combination with chloroquine

(2014) Rajnish Sahu et al.   MALARIA JOURNAL

Inferring protein domains associated with drug side effects based on drug-target interaction network

(2013) Hiroaki Iwata et al.   BMC Systems Biology

Computational Drug Repositioning: From Data to Therapeutics

(2013) M R Hurle et al.   CLINICAL PHARMACOLOGY & THERAPEUTICS

Predicting Targeted Polypharmacology for Drug Repositioning and Multi- Target Drug Discovery

(2013) X. Liu et al.   CURRENT MEDICINAL CHEMISTRY

Polypharmacology in a Single Drug: Multitarget Drugs

(2013) M. L. Bolognesi   CURRENT MEDICINAL CHEMISTRY

Chemosensitization potential of P-glycoprotein inhibitors in malaria parasites

(2013) Laura M. Alcantara et al.   EXPERIMENTAL PARASITOLOGY

Phase II and Phase III attrition rates 2011–2012

(2013) John Arrowsmith et al.   NATURE REVIEWS DRUG DISCOVERY

Machine Learning Prediction of Cancer Cell Sensitivity to Drugs Based on Genomic and Chemical Properties

(2013) Michael P. Menden et al.   PLoS One

KoBaMIN: a knowledge-based minimization web server for protein structure refinement

(2012) J. P. G. L. M. Rodrigues et al.   NUCLEIC ACIDS RESEARCH

The Comparative Toxicogenomics Database: update 2013

(2012) Allan Peter Davis et al.   NUCLEIC ACIDS RESEARCH

COFACTOR: an accurate comparative algorithm for structure-based protein function annotation

(2012) Ambrish Roy et al.   NUCLEIC ACIDS RESEARCH

Computational tools for polypharmacology and repurposing

(2011) Janosch Achenbach et al.   Future Medicinal Chemistry

HHblits: lightning-fast iterative protein sequence searching by HMM-HMM alignment

(2011) Michael Remmert et al.   NATURE METHODS

Antimalarial Activity of Potential Inhibitors of Plasmodium falciparum Lactate Dehydrogenase Enzyme Selected by Docking Studies

(2011) Julia Penna-Coutinho et al.   PLoS One

Automated protein structure modeling in CASP9 by I-TASSER pipeline combined with QUARK-based ab initio folding and FG-MD-based structure refinement

(2011) Dong Xu et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

The NCGC Pharmaceutical Collection: A Comprehensive Resource of Clinically Approved Drugs Enabling Repurposing and Chemical Genomics

(2011) R. Huang et al.   Science Translational Medicine

Open Babel: An open chemical toolbox

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

PubChem as a public resource for drug discovery

(2010) Qingliang Li et al.   DRUG DISCOVERY TODAY

DrugBank 3.0: a comprehensive resource for 'Omics' research on drugs

(2010) C. Knox et al.   NUCLEIC ACIDS RESEARCH

Structural Optimization and De Novo Design of Dengue Virus Entry Inhibitory Peptides

(2010) Joshua M. Costin et al.   PLoS Neglected Tropical Diseases

Antimalarial Activity of Tigecycline, a Novel Glycylcycline Antibiotic

(2009) P. Starzengruber et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

Properties and identification of human protein drug targets

(2009) Tala M. Bakheet et al.   BIOINFORMATICS

I-TASSER server for protein 3D structure prediction

(2008) Yang Zhang   BMC BIOINFORMATICS

Network pharmacology: the next paradigm in drug discovery

(2008) Andrew L Hopkins   Nature Chemical Biology

Novel paradigms for drug discovery: computational multitarget screening

(2008) E JENWITHEESUK et al.   TRENDS IN PHARMACOLOGICAL SCIENCES