With the financial requirements and high time associated with bringing a commercial drug to
the market, the application of computer-aided drug design has been recognized as a …

Natural metalloproteins perform many functions—ranging from sensing to electron transfer
and catalysis—in which the position and property of each ligand and metal are dictated by …

To understand the mechanisms that mediate germline genetic leukemia predisposition, we
studied the inherited ribosomopathy Shwachman-Diamond syndrome (SDS), a bone …

We describe an improved method for comparative modeling, RosettaCM, which optimizes a
physically realistic all-atom energy function over the conformational space defined by …

Do the amino acid sequence identities of residues that make contact across protein
interfaces covary during evolution? If so, such covariance could be used to predict contacts …

The quality of model structures generated by contemporary protein structure prediction
methods strongly depends on the degree of similarity between the target and available …

The evolutionary trajectory of a protein through sequence space is constrained by its
function. Collections of sequence homologs record the outcomes of millions of evolutionary …

We have recently completed a full rearchitecturing of the Rosetta molecular modeling
program, generalizing and expanding its existing functionality. The new architecture enables …

For the initiation of transcription, RNA polymerase II (Pol II) assembles with general
transcription factors on promoter DNA to form the pre-initiation complex (PIC). Here we …

Phyre2 is a suite of tools available on the web to predict and analyze protein structure,
function and mutations. The focus of Phyre2 is to provide biologists with a simple and …