The field of computational chemistry, particularly as applied to drug design, has become
increasingly important in terms of the practical application of predictive modeling to …

Virtual screening by molecular docking has become established as a method for drug lead
discovery and optimization. All docking algorithms make use of a scoring function in …

The American College of Rheumatology (ACR) most recently published recommendations
for the use of diseasemodifying antirheumatic drugs (DMARDs) and biologic agents in the …

We have assembled arrays of approximately 2,400 BAC clones for measurement of DNA copy
number across the human genome. The arrays provide precise measurement (sd of log 2 …

The RAS/mitogen-activated protein kinase pathway sends external growth-promoting
signals to the nucleus. BRAF, a critical serine/threonine kinase in this pathway, is frequently …

Surflex is a fully automatic flexible molecular docking algorithm that combines the scoring
function from the Hammerhead docking system with a search engine that relies on a surface-…

The Surflex flexible molecular docking method has been generalized and extended in two
primary areas related to the search component of docking. First, incorporation of a small-…

Background: Molecular docking seeks to predict the geometry and affinity of the binding of a
small molecule to a given protein of known structure. Rigid docking has long been used to …

Exploitation of protein structures for potential drug leads by molecular docking is critically
dependent on methods for scoring putative protein-ligand interactions. An ideal function for …

The development of solid tumors is associated with acquisition of complex genetic alterations,
indicating that failures in the mechanisms that maintain the integrity of the genome …