Structural Bioinformatics-Based Identification of EGFR Inhibitor Gefitinib as a Putative Lead Compound for BACE

The anticancer multi-kinase inhibitor dovitinib also targets topoisomerase I and topoisomerase II

(2012) Brian B. Hasinoff et al.   BIOCHEMICAL PHARMACOLOGY

Spirocyclic Sulfamides as β-Secretase 1 (BACE-1) Inhibitors for the Treatment of Alzheimer’s Disease: Utilization of Structure Based Drug Design, WaterMap, and CNS Penetration Studies To Identify Centrally Efficacious Inhibitors

(2012) Michael A. Brodney et al.   JOURNAL OF MEDICINAL CHEMISTRY

Epidermal growth factor receptor is a preferred target for treating Amyloid- -induced memory loss

(2012) L. Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

ApoE-Directed Therapeutics Rapidly Clear  -Amyloid and Reverse Deficits in AD Mouse Models

(2012) P. E. Cramer et al.   SCIENCE

Structure-based systems biology for analyzing off-target binding

(2011) Lei Xie et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Developing β-secretase inhibitors for treatment of Alzheimer’s disease

(2011) Arun K. Ghosh et al.   JOURNAL OF NEUROCHEMISTRY

The challenge of new drug discovery for tuberculosis

(2011) Anil Koul et al.   NATURE

The amyloid cascade hypothesis for Alzheimer's disease: an appraisal for the development of therapeutics

(2011) Eric Karran et al.   NATURE REVIEWS DRUG DISCOVERY

Drug Discovery Using Chemical Systems Biology: Weak Inhibition of Multiple Kinases May Contribute to the Anti-Cancer Effect of Nelfinavir

(2011) Li Xie et al.   PLoS Computational Biology

Systematic benchmarking of large molecular dynamics simulations employing GROMACS on massive multiprocessing facilities

(2010) Christian C. Gruber et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Differential levels of  -synuclein,  -amyloid42 and tau in CSF between patients with dementia with Lewy bodies and Alzheimer's disease

(2010) K. Kasuga et al.   JOURNAL OF NEUROLOGY NEUROSURGERY AND PSYCHIATRY

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

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

A unified statistical model to support local sequence order independent similarity searching for ligand-binding sites and its application to genome-based drug discovery

(2009) L. Xie et al.   BIOINFORMATICS