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Q36487775-096FB77B-D0BD-4F37-8F18-84305C709FF5
Q36487775-096FB77B-D0BD-4F37-8F18-84305C709FF5
BestRank
Statement
http://www.wikidata.org/entity/statement/Q36487775-096FB77B-D0BD-4F37-8F18-84305C709FF5
A modified QM/MM Hamiltonian with the Self-Consistent-Charge Density-Functional-Tight-Binding Theory for highly charged QM regions.
P2860
Q36487775-096FB77B-D0BD-4F37-8F18-84305C709FF5
BestRank
Statement
http://www.wikidata.org/entity/statement/Q36487775-096FB77B-D0BD-4F37-8F18-84305C709FF5
rank
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type
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wasDerivedFrom
0c7afd0d3945414a006f018a1ad10d424dd780c4
P2860
Progress in ab initio QM/MM free-energy simulations of electrostatic energies in proteins: accelerated QM/MM studies of pKa, redox reactions and solvation free energies