Now showing items 1-2 of 2
Protein side-chain placement: probabilistic inference and integer programming methods
The prediction of energetically favorable side-chain conformations is a fundamental element in homology modeling of proteins and the design of novel protein sequences. The space of side-chain conformations can be approximated ...
OmniMerge: A Systematic Approach to Constrained Conformational Search
OmniMerge performs a systematic search to enumerate all conformations of a molecule (at a given level of torsion-angle resolution) that satisfy a set of local geometric constraints. Constraints would typically come from ...