Like physics in the 19th century, biology and molecular biology in particular, has been
fertilized and enhanced like few other scientific fields, by the incorporation of mathematical …

Flexible docking and scoring using the internal coordinate mechanics software (ICM) was
benchmarked for ligand binding mode prediction against the 85 co-crystal structures in the …

Membrane proteins perform diverse functions in living organisms such as transporters,
receptors and channels. The functions of membrane proteins have been investigated with …

Multidrug resistance proteins that belong to the ATP-binding cassette family like the human
P-glycoprotein (ABCB1 or Pgp) are responsible for many failed cancer and antiviral …

The identification of genes associated with recurrent drug resistance in gastric cancer and
the elucidation of the underlying molecular mechanisms associated with recurrent drug …

Clinical treatment response achievable with conventional chemotherapy in high-grade
osteosarcoma (OS) is severely limited by the presence of intrinsic or acquired drug …

Multidrug resistance protein 4 (MRP4/ABCC4) is an ATP-binding cassette (ABC) transporter.
It is associated with multidrug resistance (MDR), which is becoming a growing challenge to …

Computer-assisted drug design (CADD) is a valuable approach for the discovery of new
chemical entities in the field of cancer therapy. There is a pressing need to design and …

Introduction: Access to the CNS is essential for most neurotherapeutics to elicit their effects.
Leveraging design strategies incorporating physicochemical properties, in vitro and in vivo …

Phytohormone auxin plays a critical role in modulating plant architecture by creating a
gradient regulated via its transporters such as ATP-binding cassette (ABC) B1. Except for …