@article {677,
	title = {Molecular simulation methods in drug discovery: a prospective outlook},
	journal = {J. Comput.-Aided Mol. Des.},
	volume = {26},
	year = {2012},
	month = {11/2011},
	chapter = {81},
	doi = {10.1007/s10822-011-9506-1},
	author = {Barril, X and F. J. Luque}
}
