rotamerの例文

• The rotamers described by rotamer libraries are usually regions in space.
• Then, a series of iterative steps optimize the rotamer assignment.
• Rotamer libraries describe rotamers based on an analysis of many protein structures.
• In general a gauche rotamer is less stable than an anti-rotamer.
• In general a gauche rotamer is less stable than an anti-rotamer.
• Backbone-independent rotamer libraries describe all rotamers.
• Common protein design programs use rotamer libraries to simplify the conformational space of protein side chains.
• To model discrete states of a side chain, one could use a rotamer library approach.
• Neophyl chloride is a rotamer of the molecule would allow a backside attack of the ? carbon.
• These methods use rotamer libraries, which are collections of favorable conformations for each residue type in proteins.
• Rotamer libraries can be backbone-independent, secondary-structure-dependent, or backbone-dependent.
• This animation loops through all the rotamers of the isoleucine amino acid based on the Penultimate Rotamer Library.
• A typical protein design search compares all the rotamer-conformations from all possible mutations at all residues.
• The single-rotamer search scales quadratically in time with " total " number of rotamers.
• "' FoldX "'is a rotamer library, while exploring alternative conformations of the surrounding side chains.
• If the variables of choice are dihedral angles, the discretization is typically done by mapping each value to the corresponding rotamer conformation.
• Let E ( r i, r j ) be the potential energy between r i and rotamer r j at residue position j.
• Alternatively rotamer libraries of amino acid side chains that surround the binding cavity may be searched to generate alternate but energetically reasonable protein conformations.
• Rotamer libraries may contain information about the conformation, its frequency, and the standard deviations about mean dihedral angles, which can be used in sampling.
• In these cases, the amino acid identity of each rotamer can be ignored and all rotamers belonging to different amino acids can be treated the same.