Welcome to the new version of CaltechAUTHORS. Login is currently restricted to library staff. If you notice any issues, please email coda@library.caltech.edu
Published August 2000 | public
Journal Article

Conformational splitting: a more powerful criterion for dead-end elimination


Dead-end elimination (DEE) is a powerful theorem for selecting optimal protein side-chain orientations from a large set of discrete conformations. The present work describes a new approach to dead-end elimination that effectively splits conformational space into partitions to more efficiently eliminate dead-ending rotamers. Split DEE makes it possible to complete protein design calculations that were previously intractable due to the combinatorial explosion of intermediate conformations generated during the convergence process.

Additional Information

© 2000 John Wiley & Sons, Inc. Received 19 November 1999; accepted 9 March 2000. Article first published online: 21 Jun. 2000. N.A.P. thanks D. B. Gordon for many helpful discussions. J.A.S. and J.D. thank I. Lasters and M. De Maeyer for their interest and occasional help as peers in the common field. Contract/grant sponsors: Burroughs-Wellcome Foundation; Caltech Initiative in Computational Molecular Biology; Faculty of Agricultural and Applied Biological Sciences; Belgian National Fund for Scientific Research (FWO); Howard Hughes Medical Institute

Additional details

August 21, 2023
October 23, 2023