Protein–protein interactions are ubiquitous, essential to almost all known biological
processes, and offer attractive opportunities for therapeutic intervention. Developing small …

An immunoglobulin light chain dimer with a large generic binding cavity was used as a host
molecule for designing a series of peptide guest ligands. In a screening procedure peptides …

Here we carry out an examination of shape complementarity as a criterion in protein‐protein
docking and binding. Specifically, we examine the quality of shape complementarity as a …

We demonstrate in this work that the surface tension, water‐organic solvent, transfer‐free
energies and the thermodynamics of melting of linear alkanes provide fundamental insights …

The steroid hormone 17α‐hydroxylprogesterone (17‐OHP) is a biomarker for congenital
adrenal hyperplasia and hence there is considerable interest in development of sensors for …

The general similarity in the forces governing protein folding and protein-protein
associations has led us to examine the similarity in the architectural motifs between the …

Data sets of 362 structurally nonredundant protein‐protein interfaces and of 57 symmetry‐
related oligomeric interfaces have been used to explore whether the hydrophobic effect that …

The analysis of natural contact interfaces between protein subunits and between proteins
has disclosed some general rules governing their association. We have applied these rules …

Recent years have seen the first applications of computational protein design to generate
novel catalysts, binding pairs of proteins, protein inhibitors, and large oligomeric assemblies …

Reliable prediction of the amino acid residues involved in protein–protein interfaces can
provide valuable insight into protein function, and inform mutagenesis studies, and drug …