Title : Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel.

Pub. Date : 2014 Jan 14

PMID : 25104919

1 Functional Relationships(s)
Compound Name
Protein Name
1 The current work benchmarks the SCC-DFTB/MM method against more accurate DFT/MM by simulating PT in a synthetic leucine-serine channel (LS2), which emulates the structure and function of biomolecular proton channels. Platinum serpin family D member 1 Homo sapiens