The Structural Basis of IKs Ion-Channel Activation: Mechanistic Insights from Molecular Simulations.

ABSTRACT: Relating ion channel (iCh) structural dynamics to physiological function remains a challenge. Current experimental and computational techniques have limited ability to explore this relationship in atomistic detail over physiological timescales. A framework associating iCh structure to function is necessary for elucidating normal and disease mechanisms. We formulated a modeling schema that overcomes the limitations of current methods through applications of artificial intelligence machine learning. Using this approach, we studied molecular processes that underlie human IKs voltage-mediated gating. IKs malfunction underlies many debilitating and life-threatening diseases. Molecular components of IKs that underlie its electrophysiological function include KCNQ1 (a pore-forming tetramer) and K

SUBMITTER: Ramasubramanian S 

PROVIDER: S-EPMC6129186 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature