Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectives.
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Transition States, analogues, and drug development.Mechanistic insights on the reduction of glutathione disulfide by protein disulfide isomerase.In Silico Studies of Small Molecule Interactions with Enzymes Reveal Aspects of Catalytic FunctionAdaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning Schemes
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Hybrid schemes based on quantum mechanics/molecular mechanics simulations goals to success, problems, and perspectives.
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article científic
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article scientifique
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articol științific
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articolo scientifico
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artigo científico
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artigo científico
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artigo científico
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artikel ilmiah
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artículo científico
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name
Hybrid schemes based on quantu ...... s, problems, and perspectives.
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Hybrid schemes based on quantu ...... s, problems, and perspectives.
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type
label
Hybrid schemes based on quantu ...... s, problems, and perspectives.
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Hybrid schemes based on quantu ...... s, problems, and perspectives.
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Hybrid schemes based on quantu ...... s, problems, and perspectives.
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Hybrid schemes based on quantu ...... s, problems, and perspectives.
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P50
P1476
Hybrid schemes based on quantu ...... ss, problems, and perspectives
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P2093
Juan Bertrán
P304
P356
10.1016/B978-0-12-386485-7.00003-X
P577
2011-01-01T00:00:00Z