Antibacterial mechanisms identified through structural systems pharmacology

Structural Systems Pharmacology: A New Frontier in Discovering Novel Drug Targets

(2013) Hepan Tan et al.   CURRENT DRUG TARGETS

Structural Systems Biology Evaluation of Metabolic Thermotolerance in Escherichia coli

(2013) R. L. Chang et al.   SCIENCE

Raloxifene attenuates Pseudomonas aeruginosa pyocyanin production and virulence

(2012) Shannan J. Ho Sui et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

Structure-based prediction of protein–protein interactions on a genome-wide scale

(2012) Qiangfeng Cliff Zhang et al.   NATURE

Three-dimensional reconstruction of protein networks provides insight into human genetic disease

(2012) Xiujuan Wang et al.   NATURE BIOTECHNOLOGY

A Structural Systems Biology Approach for Quantifying the Systemic Consequences of Missense Mutations in Proteins

(2012) Tammy M. K. Cheng et al.   PLoS Computational Biology

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

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

ChEMBL: a large-scale bioactivity database for drug discovery

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

Accelerated similarity searching and clustering of large compound sets by geometric embedding and locality sensitive hashing

(2010) Yiqun Cao et al.   BIOINFORMATICS

Targeting multiple targets inPseudomonas aeruginosaPAO1 using flux balance analysis of a reconstructed genome-scale metabolic network

(2010) Deepak Perumal et al.   JOURNAL OF DRUG TARGETING

What is flux balance analysis?

(2010) Jeffrey D Orth et al.   NATURE BIOTECHNOLOGY

SMAP-WS: a parallel web service for structural proteome-wide ligand-binding site comparison

(2010) J. Ren et al.   NUCLEIC ACIDS RESEARCH

EcoCyc: a comprehensive database of Escherichia coli biology

(2010) I. M. Keseler et al.   NUCLEIC ACIDS RESEARCH

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

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

The Mycobacterium tuberculosis Drugome and Its Polypharmacological Implications

(2010) Sarah L. Kinnings et al.   PLoS Computational Biology

Drug Off-Target Effects Predicted Using Structural Analysis in the Context of a Metabolic Network Model

(2010) Roger L. Chang et al.   PLoS Computational Biology

Comparative Genome-Scale Metabolic Reconstruction and Flux Balance Analysis of Multiple Staphylococcus aureus Genomes Identify Novel Antimicrobial Drug Targets

(2009) D.-S. Lee et al.   JOURNAL OF BACTERIOLOGY

Three-Dimensional Structural View of the Central Metabolic Network of Thermotoga maritima

(2009) Y. Zhang et al.   SCIENCE

Improving Structure-Based Function Prediction Using Molecular Dynamics

(2009) Dariya S. Glazer et al.   STRUCTURE

Drug Discovery Using Chemical Systems Biology: Repositioning the Safe Medicine Comtan to Treat Multi-Drug and Extensively Drug Resistant Tuberculosis

(2009) Sarah L. Kinnings et al.   PLoS Computational Biology

Drug Discovery Using Chemical Systems Biology: Identification of the Protein-Ligand Binding Network To Explain the Side Effects of CETP Inhibitors

(2009) Li Xie et al.   PLoS Computational Biology

Detecting evolutionary relationships across existing fold space, using sequence order-independent profile-profile alignments

(2008) L. Xie et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA