The term molecular mechanics (MM) refers to the use of simple potential-energy functions
(eg, harmonic oscillator or Coulombic potentials) to model molecular systems. Molecular …

Xplor–NIH [1] is a generalized package for biomolecular structure determination from
experimental NMR data combined with known geometric data. This is achieved by seeking …

Proteins fold into unique native structures stabilized by thousands of weak interactions that
collectively overcome the entropic cost of folding. Although these forces are “encoded” in the …

Naturally occurring, pharmacologically active peptides constrained with covalent crosslinks
generally have shapes that have evolved to fit precisely into binding pockets on their targets …

Modern structural genomics projects demand for integrated methods for the interpretation
and storage of nuclear magnetic resonance (NMR) data. Here we present version 2.1 of our …

Anaplastic lymphoma kinase (ALK) is a receptor tyrosine kinase (RTK) that regulates
important functions in the central nervous system,. The ALK gene is a hotspot for …

The eight mammalian Cbx proteins are chromodomain-containing proteins involved in
regulation of heterochromatin, gene expression, and developmental programs. They are …