Papers on Computational Biology
A randomized kinematics-based approach to pharmacophore-constrained conformational search and database screening. S. M. LaValle, P. Finn, L. Kavraki, and J.-C. Latombe. J. Computational Chemistry, 21(9):731-747, 2000. [pdf].
Efficient database screening for rational drug design using pharmacophore-constrained conformational search. S. M. LaValle, P. Finn, L. E. Kavraki, and J.-C. Latombe. In Proceedings RECOMB (Annual International Conference on Molecular Biology), pages 250-259, 1999. [pdf].