Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations.

about

Metal Ion Modeling Using Classical Mechanics Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.A QM/MM study of the nature of the entatic state in plastocyanin.

P2860

Q30363020-2B9196E1-D7AE-470F-8BBB-DF5E0B4CB76A Q36903666-1DD46375-29F4-4690-85EE-32D36BBEB985 Q42115013-FD40180F-7C34-4DF9-ACE1-0EEFE890A525

P2860

Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations.

Item

http://www.wikidata.org/entity/Q47124111

description

2015 nî lūn-bûn

@nan

2015年の論文

@ja

2015年学术文章

@wuu

2015年学术文章

@zh

2015年学术文章

@zh-cn

2015年学术文章

@zh-hans

2015年学术文章

@zh-my

2015年学术文章

@zh-sg

2015年學術文章

@yue

2015年學術文章

@zh-hant

name

Copper Oxidation/Reduction in ...... olecular Dynamics Simulations.

@en

Copper Oxidation/Reduction in ...... olecular Dynamics Simulations.

@nl

type

Item

label

Copper Oxidation/Reduction in ...... olecular Dynamics Simulations.

@en

Copper Oxidation/Reduction in ...... olecular Dynamics Simulations.

@nl

prefLabel

Copper Oxidation/Reduction in ...... olecular Dynamics Simulations.

@en

Copper Oxidation/Reduction in ...... olecular Dynamics Simulations.

@nl

P1476

Copper Oxidation/Reduction in ...... olecular Dynamics Simulations.

@en

P2093

Akshaya Kumar Das

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

Haiyun Jin

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

Markus Meuwly

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

Michael Gaus

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

Puja Goyal

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

Qiang Cui

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 exchange-energy approximation with correct asymptotic behavior

CHARMM: the biomolecular simulation program

Generalized Gradient Approximation Made Simple

Inner- and outer-sphere metal coordination in blue copper proteins

Electron tunneling in single crystals of Pseudomonas aeruginosa azurins

Protonation of a histidine copper ligand in fern plastocyanin

Crystal structure analyses of reduced (CuI) poplar plastocyanin at six pH values

All-atom empirical potential for molecular modeling and dynamics studies of proteins

VMD: visual molecular dynamics

P304

1894-1910

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

P31

scholarly article

P356

10.1021/ACS.JPCB.5B09656

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

P407

English

P433

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

P478

120

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

P577

2015-12-01T00:00:00Z

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

P698

26624804

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

P932

5705190

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

Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations.

about

P2860

P2860

Copper Oxidation/Reduction in Water and Protein: Studies with DFTB3/MM and VALBOND Molecular Dynamics Simulations.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P577

P698

P932