The ever increasing computer power, together with the improved accuracy of atomistic force
fields, enables researchers to investigate biological systems at the molecular level with …

Molecular dynamics with coarse-grained models is nowadays extensively used to simulate
biomolecular systems at large time and size scales, compared to those accessible to all …

The associative memory, water-mediated, structure and energy model (AWSEM) has been
successfully used to study protein folding, binding, and aggregation problems. In this work …

Reliable prediction of T cell specificity against antigenic signatures is a formidable task,
complicated by the immense diversity of T cell receptor and antigen sequence space and …

Huntington's disease (HD) is a neurodegenerative disease caused by an abnormal
expansion in the polyglutamine (polyQ) track of the Huntingtin (HTT) protein. The severity of …

Intrinsically disordered proteins (IDPs) lack a rigid three-dimensional structure and populate
a polymorphic ensemble of conformations. Because of the lack of a reference conformation …

Carriers of heterozygous germline BAP1 mutations (BAP1+/−) are affected by the “BAP1
cancer syndrome.” Although they can develop almost any cancer type, they are unusually …

Intense study of intrinsically disordered proteins (IDPs) did not begin in earnest until the late
1990s when a few groups, working independently, convinced the community that these …

Abstract Prostate-associated gene 4 (PAGE4) is an intrinsically disordered protein
implicated in prostate cancer. Thestress-response kinase homeodomain-interacting protein …

Protein sequences have evolved to fold into functional structures, resulting in families of
diverse protein sequences that all share the same overall fold. One can harness protein …