Title: An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis.
Authors: Wang W, Lim WA, Jakalian A, Wang J, Luo R, Bayly CI, Kollman PA
Journal: J Am Chem Soc
Published: 2001-05-02
Volume: 123
Pages: 3986-94