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The dead-end elimination theorem and its use in protein side-chain positioning
We present a theorem, referred to as the 'dead-end elimination' theorem, which imposes a suitable condition to identify rotamers that cannot be members of the global minimum energy conformation. Expand
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… Expand
All in one: a highly detailed rotamer library improves both accuracy and speed in the modelling of sidechains by dead-end elimination.
BACKGROUND About a decade ago, the concept of rotamer libraries was introduced to model sidechains given known mainchain coordinates. Since then, several groups have developed methods to handle the… Expand
The fuzzy-end elimination theorem: correctly implementing the side chain placement algorithm based on the dead-end elimination theorem.
Recently it has been shown that the dead-end elimination theorem is a powerful tool in the search for the global minimum energy conformation (GMEC) of a large collection of protein side chains given… Expand
Enhanced dead-end elimination in the search for the global minimum energy conformation of a collection of protein side chains.
Although the conformational states of protein side chains can be described using a library of rotamers, the determination of the global minimum energy conformation (GMEC) of a large collection of… Expand
Diagnostic and treatment issues in postamputation pain after landmine injury.
- P. Wiffen, J. Meynadier, M. Dubois, Calude Thurel, J. Desmet, R. Harden
- Pain medicine
- 1 November 2006
Treating postamputation pain is challenging because it probably comprises nociceptive and neuropathic components, and the neuropathic part probably has both peripheral and central elements.… Expand
The dead-end elimination theorem: mathematical aspects, implementation, optimizations, evaluation, and performance.
Coexistence of hypocalciuric hypercalcaemia and interstitial lung disease in a family: a cross‐sectional study
- J. Auwerx, M. Demedts, R. Bouillon, J. Desmet
- European journal of clinical investigation
- 1 January 1985
Abstract. In a prospective investigation, a large kindred (twenty‐one subjects) with unexplained association of familial hypocalciuric hypercalcaemia and idiopathic interstitial lung disease was… Expand
The “Dead-End Elimination” Theorem: A New Approach to the Side-Chain Packing Problem
The prediction of a protein’s tertiary structure is still computationally infeasible, mainly because of the huge number of a priori possible global conformations. The prediction of side-chain… Expand
Theoretical and algorithmical optimization of the dead-end elimination theorem.
- J. Desmet, M. de Maeyer, I. Lasters
- Computer Science, Medicine
- Pacific Symposium on Biocomputing. Pacific…
We discuss the theoretical and practical aspects of three new methods called the "bottom line theorem", dead-end elimination assisted by local modeling and a combinatorial search combined with conventional dead- end elimination. Expand