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Toward On-The-Fly Quantum Mechanical/Molecular Mechanical (QM/MM) Docking: Development and Benchmark of a Scoring Function

https://doi.org/10.1021/ci5004152
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Quantum chemistry and conformational sampling meet together : a powerful approach to study and design metalloprotein reactivity
inferred← citeshttps://doi.org/10.70675/d579a173zeee9z409fzaf5ez64ae20859f75openalex-snapshot
Computational fragment-based design of chemically modified oligonucleotides for selective protein inhibition : BACE1 as a case study
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