Sanjeevini: a freely accessible web-server for target directed lead molecule discovery

In silico approach to screen compounds active against parasitic nematodes of major socio-economic importance

(2011) Varun Khanna et al.   BMC BIOINFORMATICS

The cutting edge: membrane-anchored serine protease activities in the pericellular microenvironment

(2010) Toni M. Antalis et al.   BIOCHEMICAL JOURNAL

An interaction-motif-based scoring function for protein-ligand docking

(2010) Zhong-Ru Xie et al.   BMC BIOINFORMATICS

A knowledge-guided strategy for improving the accuracy of scoring functions in binding affinity prediction

(2010) Tiejun Cheng et al.   BMC BIOINFORMATICS

Successful Applications of Computer Aided Drug Discovery: Moving Drugs from Concept to the Clinic

(2010) Tanaji Talele et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

A fast empirical GAFF compatible partial atomic charge assignment scheme for modeling interactions of small molecules with biomolecular targets

(2010) Goutam Mukherjee et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Automated Docking Screens: A Feasibility Study

(2009) John J. Irwin et al.   JOURNAL OF MEDICINAL CHEMISTRY

PDBcal: A Comprehensive Dataset for Receptor–Ligand Interactions with Three-dimensional Structures and Binding Thermodynamics from Isothermal Titration Calorimetry

(2008) Liwei Li et al.   Chemical Biology & Drug Design

An Improved PMF Scoring Function for Universally Predicting the Interactions of a Ligand with Protein, DNA, and RNA

(2008) Xiaoyu Zhao et al.   Journal of Chemical Information and Modeling

Computer-aided drug discovery and development (CADDD): In silico-chemico-biological approach

(2006) I.M. Kapetanovic   CHEMICO-BIOLOGICAL INTERACTIONS