The function of antibodies (Abs) involves specific binding to antigens (Ags) and activation of
other components of the immune system to fight pathogens. The six hypervariable loops …

All soluble proteins populate conformational ensembles that together constitute the native
state. Their fluctuations in water are intrinsic thermodynamic phenomena, and the …

Predicting interactions between proteins and other biomolecules solely based on structure
remains a challenge in biology. A high-level representation of protein structure, the …

We consider the prediction of interfaces between proteins, a challenging problem with
important applications in drug discovery and design, and examine the performance of …

▪ Abstract Comparative modeling predicts the three-dimensional structure of a given protein
sequence (target) based primarily on its alignment to one or more proteins of known …

Comparative protein structure prediction is limited mostly by the errors in alignment and loop
modeling. We describe here a new automated modeling technique that significantly …

Background Estimation of the reliability of specific real value predictions is nontrivial and the
efficacy of this is often questionable. It is important to know if you can trust a given prediction …

Proteins tendency to bind to one another in a highly specific manner forming stable
complexes is fundamental to all biological processes. A better understanding of complex …

Proteins are the working horse of the cellular machinery. They are responsible for diverse
functions ranging from molecular motors to signaling. They catalyze reactions, transport …

The self-association of proteins to form dimers and higher-order oligomers is a very common
phenomenon. Recent structural and biophysical studies show that protein dimerization or …