Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs

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Pseudobond parameters for QM/MM studies involving nucleosides, nucleotides, and their analogs

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2013 nî lūn-bûn

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2013年の論文

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2013年論文

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2013年論文

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2013年論文

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2013年論文

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2013年論文

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2013年论文

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2013年论文

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2013年论文

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Pseudobond parameters for QM/M ...... nucleotides, and their analogs

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Pseudobond parameters for QM/M ...... nucleotides, and their analogs

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Pseudobond parameters for QM/M ...... nucleotides, and their analogs

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Pseudobond parameters for QM/M ...... nucleotides, and their analogs

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Pseudobond parameters for QM/M ...... nucleotides, and their analogs

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Pseudobond parameters for QM/M ...... nucleotides, and their analogs

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P1476

Pseudobond parameters for QM/M ...... nucleotides, and their analogs

@en

P2093

Jerry M Parks

http://www.w3.org/2001/XMLSchema#string

Robin Chaudret

http://www.w3.org/2001/XMLSchema#string

Weitao Yang

http://www.w3.org/2001/XMLSchema#string

P2860

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

Density-functional thermochemistry. III. The role of exact exchange

How enzymes work: analysis by modern rate theory and computer simulations

Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

Advances in quantum and molecular mechanical (QM/MM) simulations for organic and enzymatic reactions.

Structure/function correlations of proteins using MM, QM/MM, and related approaches: methods, concepts, pitfalls, and current progress.

Generalized hybrid-orbital method for combining density functional theory with molecular mechanicals

Catalytic mechanism of 4-oxalocrotonate tautomerase: significances of protein-protein interactions on proton transfer pathways.

P304

045102

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P31

scholarly article

P356

10.1063/1.4772182

http://www.w3.org/2001/XMLSchema#string

P407

English

P433

http://www.w3.org/2001/XMLSchema#string

P478

138

http://www.w3.org/2001/XMLSchema#string

P577

2013-01-01T00:00:00Z

http://www.w3.org/2001/XMLSchema#dateTime

P698

23387624

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P932

3568090

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