Abstract. The function of a protein is dependent on whether and how it can interact with various ligands. Therefore, an accurate prediction of protein-ligand interactions is paramo...
Loop closure in proteins requires computing the values of the inverse kinematics (IK) map for a backbone fragment with 2n 6 torsional degrees of freedom (dofs). It occurs in a va...
R. James Milgram, Guanfeng Liu, Jean-Claude Latomb...