Amino Acid Residue-Specific Ramachandran Distributions Derived from a Simple Mean Field Potential.

ABSTRACT: Protein dynamics in the unfolded state, in the context of early stage protein folding or intrinsically disordered proteins (IDPs), is not well understood. The discovery of IDPs, and their sequence-dependent dynamics, has led to many computational and experimental investigations regarding the conformational preferences of short oligopeptides and individual amino acid residues in the unfolded state. As proteins consist of sequences of amino acid residues, characterizing the intrinsic conformational preferences of the individual residues in the unfolded state is crucial for understanding the emergent conformations of peptides and proteins. While advances have been made in understanding conformational preferences, the atomistic mechanisms driving these preferences remain unresolved. In this wo

SUBMITTER: Andrews B 

PROVIDER: S-EPMC11613349 | biostudies-literature | 2024 Nov

REPOSITORIES: biostudies-literature