HINT, a code for understanding the interaction between biomolecules: a tribute to Donald J. Abraham.

ABSTRACT: A long-lasting goal of computational biochemists, medicinal chemists, and structural biologists has been the development of tools capable of deciphering the molecule-molecule interaction code that produces a rich variety of complex biomolecular assemblies comprised of the many different simple and biological molecules of life: water, small metabolites, cofactors, substrates, proteins, DNAs, and RNAs. Software applications that can mimic the interactions amongst all of these species, taking account of the laws of thermodynamics, would help gain information for understanding qualitatively and quantitatively key determinants contributing to the energetics of the bimolecular recognition process. This, in turn, would allow the design of novel compounds that might bind at the intermolecular inte

SUBMITTER: Kellogg GE 

PROVIDER: S-EPMC10282649 | biostudies-literature | 2023

REPOSITORIES: biostudies-literature