Computational Approaches for Drug Discovery

Opportunities and Challenges Provided by Cloud Repositories for Bioinformatics-Enabled Drug Discovery

(2014) Gratien Dalpé et al.   DRUG DEVELOPMENT RESEARCH

A Performance/Cost Evaluation for a GPU-Based Drug Discovery Application on Volunteer Computing

(2014) Ginés D. Guerrero et al.   Biomed Research International

CUDASW++ 3.0: accelerating Smith-Waterman protein database search by coupling CPU and GPU SIMD instructions

(2013) Yongchao Liu et al.   BMC BIOINFORMATICS

Novel Method for Generating Structure-Based Pharmacophores Using Energetic Analysis

(2009) Noeris K. Salam et al.   Journal of Chemical Information and Modeling

Energetic analysis of fragment docking and application to structure-based pharmacophore hypothesis generation

(2009) Kathryn Loving et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Fragment-Based de Novo Ligand Design by Multiobjective Evolutionary Optimization

(2008) Fabian Dey et al.   Journal of Chemical Information and Modeling

3D-QSAR CoMFA analysis of C5 substituted pyrrolotriazines as HER2 (ErbB2) inhibitors

(2007) Mahendra Awale et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING