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The Role of the Distal and Proximal Protein Environments in Controlling the Ferric Spin State and in Stabilizing Thiolate Ligation in Heme Systems:Thiolate Adducts of the Myoglobin H93G Cavity Mutant
salicylic alcohols hydrogen bonds quantum chemistry
2016/5/23
Recently, heme protein cavity mutants have been engineered in which the proximal coordinating amino acid has been replaced by a smaller, noncoordinating residue leaving a cavity that can be filled by ...
A new quantum propagator for hard sphere and cavity systems
quantum propagator hard sphere cavity systems
2014/9/24
A new short time propagator for a particle interacting with a hard sphere or with a hard sphere cavity is derived. This new propagator is shown to be a much better approximation than the image approxi...