C I Bayly

Structure-based design of COX-2 selectivity into flurbiprofen.

C. Bayly, M. Percival, S. Léger, 1999, Bioorganic & medicinal chemistry letters.

An analysis of the interactions between the Sem-5 SH3 domain and its ligands using molecular dynamics, free energy calculations, and sequence analysis.

P A Kollman, P. Kollman, W. Lim, 2001, Journal of the American Chemical Society.