A Conical Representation of Hydrogen Bond Geometry for Quantifying Bond Interactions.

ABSTRACT: We present a new three dimensional representation of hydrogen bond donors and acceptors as spherical cones. The conical representation describes the range of bond lengths and bond angles at which a hydrogen bond can form. We hypothesized that three dimensional intersections of these cones can predict the formation of hydrogen bonds and potentially their contribution to protein-protein interactions. As a result, this representation enables a new technique for identifying similarities in bond formation and bond geometry.

SUBMITTER: Buranasilp C 

PROVIDER: S-EPMC12747321 | biostudies-literature | 2021 Dec

REPOSITORIES: biostudies-literature