Reverse docking: a powerful tool for drug repositioning and drug rescue

Identification of Proapoptopic, Anti-Inflammatory, Anti-Proliferative, Anti-Invasive and Anti-Angiogenic Targets of Essential Oils in Cardamom by Dual Reverse Virtual Screening and Binding Pose Analysis

(2013) Biplab Bhattacharjee et al.   Asian Pacific Journal of Cancer Prevention

Computational Drug Repositioning: From Data to Therapeutics

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

VinaMPI: Facilitating multiple receptor high-throughput virtual docking on high-performance computers

(2013) Sally R. Ellingson et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review

(2012) Tiejun Cheng et al.   AAPS Journal

Target fishing and docking studies of the novel derivatives of aryl-aminopyridines with potential anticancer activity

(2012) Slavica Erić et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Inverse Virtual Screening allows the discovery of the biological activity of natural compounds

(2012) Gianluigi Lauro et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Searching for transcription factor binding sites in vector spaces

(2012) Chih Lee et al.   BMC BIOINFORMATICS

Clarifying off-target effects for torcetrapib using network pharmacology and reverse docking approach

(2012) Shengjun Fan et al.   BMC Systems Biology

In silico drug repositioning – what we need to know

(2012) Zhichao Liu et al.   DRUG DISCOVERY TODAY

Surflex-Dock: Docking benchmarks and real-world application

(2012) Russell Spitzer et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

idTarget: a web server for identifying protein targets of small chemical molecules with robust scoring functions and a divide-and-conquer docking approach

(2012) Jui-Chih Wang et al.   NUCLEIC ACIDS RESEARCH

A Comparative Reverse Docking Strategy to Identify Potential Antineoplastic Targets of Tea Functional Components and Binding Mode

(2011) Rong Zheng et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

DrugPred: A Structure-Based Approach To Predict Protein Druggability Developed Using an Extensive Nonredundant Data Set

(2011) Agata Krasowski et al.   Journal of Chemical Information and Modeling

ReverseScreen3D: A Structure-Based Ligand Matching Method To Identify Protein Targets

(2011) Sarah L. Kinnings et al.   Journal of Chemical Information and Modeling

An inverse docking approach for identifying new potential anti-cancer targets

(2011) Sam Z. Grinter et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

The productivity crisis in pharmaceutical R&D

(2011) Fabio Pammolli et al.   NATURE REVIEWS DRUG DISCOVERY

Therapeutic target database update 2012: a resource for facilitating target-oriented drug discovery

(2011) F. Zhu et al.   NUCLEIC ACIDS RESEARCH

Open Babel: An open chemical toolbox

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

Evaluation of various inverse docking schemes in multiple targets identification

(2010) Liu Hui-fang et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

PharmMapper server: a web server for potential drug target identification using pharmacophore mapping approach

(2010) Xiaofeng Liu et al.   NUCLEIC ACIDS RESEARCH

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

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

Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions

(2010) Sheng-You Huang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Identification of Attractive Drug Targets in Neglected-Disease Pathogens Using an In Silico Approach

(2010) Gregory J. Crowther et al.   PLoS Neglected Tropical Diseases

Fpocket: An open source platform for ligand pocket detection

(2009) Vincent Le Guilloux et al.   BMC BIOINFORMATICS

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

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

PDTD: a web-accessible protein database for drug target identification

(2008) Zhenting Gao et al.   BMC BIOINFORMATICS

Ranking Targets in Structure-Based Virtual Screening of Three-Dimensional Protein Libraries: Methods and Problems

(2008) Esther Kellenberger et al.   Journal of Chemical Information and Modeling

Improving accuracy and efficiency of blind protein-ligand docking by focusing on predicted binding sites

(2008) Dario Ghersi et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS