Jacques Chomilier

The paper explores cyclic peptide conformations using multiple molecular dynamics protocols and force fields, finding that combining implicit solvent simulations improves native structure prediction.

The paper evaluates sequence- and structure-based multiple alignment programs using reference databases, finding structure-based methods perform better at low sequence identity and for structured residues.

The paper introduces a method to explore the conformational landscape of small cyclic peptides and validates it using a drug candidate.