Proteins function through interactions with other proteins or peptides, a complex process that is still not fully understood. Current research focuses on how amino acid residues interact in ...

Molecular dynamics (MD) simulations offer a powerful computational approach to decipher the complex and transient nature of peptide-protein interactions. By calculating the time-dependent behaviour of ...

Solving puzzles experimentally is enjoyable for many researchers. However, there are some puzzles that force even the best puzzlers to nominate modeling over experimental approaches to help decipher ...