QM/MM calculations with deMon2k.

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On the accuracy of population analyses based on fitted densities.Cuby: An integrative framework for computational chemistry.

P2860

Q50864015-45E59B99-86C1-4A7B-B656-69E036D7AA65 Q51536783-EBF5C3AE-F566-44CF-8F5F-0B415A49C706

P2860

QM/MM calculations with deMon2k.

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http://www.wikidata.org/entity/Q38382854

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2015 nî lūn-bûn

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2015年の論文

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2015年論文

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2015年論文

@zh-hant

2015年論文

@zh-hk

2015年論文

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2015年论文

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QM/MM calculations with deMon2k.

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QM/MM calculations with deMon2k.

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QM/MM calculations with deMon2k.

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P1476

QM/MM calculations with deMon2k

@en

P2093

Andreas M Köster

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

Annick Goursot

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Aurelio Alvarez-Ibarra

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Aurélien de la Lande

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Dennis R Salahub

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Patrizia Calaminici

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Rui Zhang

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Van Ngo

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P2860

Canonical dynamics: Equilibrium phase-space distributions

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

Secondary Structure of Huntingtin Amino-Terminal Region

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

A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations

Force Field for Peptides and Proteins based on the Classical Drude Oscillator

ATP binding and aspartate protonation enhance photoinduced electron transfer in plant cryptochrome.

Representation of Ion-Protein Interactions Using the Drude Polarizable Force-Field.

Variable electron transfer pathways in an amphibian cryptochrome: tryptophan versus tyrosine-based radical pairs

P304

4780-4812

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P31

scholarly article

P356

10.3390/MOLECULES20034780

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P407

English

P433

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

P478

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P50

Jan Řezáč

Sergei Y Noskov

Daniel Mejía-Rodríguez

Fabien Cailliez

Bogdan Lev

P577

2015-03-16T00:00:00Z

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P5875

273951416

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P698

25786164

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P932

6272552

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QM/MM calculations with deMon2k.

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P2860

P2860

QM/MM calculations with deMon2k.

description

name

type

label

prefLabel

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P5875

P698

P932

P356

P1433

P1476

P2093

P2860

P304

P31

P356

P407

P433

P478

P50

P577

P5875

P698

P932