From exponentially large numbers of possible sequences, protein design seeks to identify
the properties of those that fold to predetermined structures and have targeted structural and …

It has been twenty years since the first rationally designed small molecule drug was
introduced into the market. Since then, we have progressed from designing small molecules …

Results. Acute MI caused frequent ventricular ectopyduring the steady-state pacing, but not
after a pause. Acute MI hearts became susceptible to postpause ectopy only after Ca2þ …

Computational protein and drug design generally require accurate modeling of protein
conformations. This modeling typically starts with an experimentally determined protein …

Computational protein design (CPD) is a useful tool for protein engineers. It has been
successfully applied towards the creation of proteins with increased thermostability …

Computational protein design (CPD) is a powerful technique to engineer existing proteins or
to design novel ones that display desired properties. Rosetta is a software suite including …

We describe methods for physics-based protein design and some recent applications from
our work. We present the physical interpretation of a MC simulation in sequence space and …

Abstract Motivation: The Backrub is a small but kinematically efficient side-chain-coupled
local backbone motion frequently observed in atomic-resolution crystal structures of …

Therapeutic proteins of wide-ranging function hold great promise for treating disease, but
immune surveillance of these macromolecules can drive an antidrug immune response that …

Computational protein design has found great success in engineering proteins for
thermodynamic stability, binding specificity, or enzymatic activity in a 'single state'design …