Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel

Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel

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http://www.wikidata.org/entity/Q33998186
Microscopic basis for kinetic gating in Cytochrome c oxidase: insights from QM/MM analysis.Multiscale Reactive Molecular Dynamics for Absolute pKa Predictions and Amino Acid Deprotonation.A delocalized proton-binding site within a membrane proteinMolecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based modelsHydrated Excess Protons Can Create Their Own Water Wires.Computationally Efficient Multiscale Reactive Molecular Dynamics to Describe Amino Acid Deprotonation in Proteins.Acid activation mechanism of the influenza A M2 proton channel.Water Multilayers on TiO2 (101) Anatase Surface: Assessment of a DFTB-Based MethodDensity functional tight binding: values of semi-empirical methods in an ab initio era.Benchmarking density functional tight binding models for barrier heights and reaction energetics of organic molecules.An adaptive quantum mechanics/molecular mechanics method for the infrared spectrum of water: incorporation of the quantum effect between solute and solvent.Impact of distributions and mixtures on the charge transfer properties of graphene nanoflakes.An analysis of hydrated proton diffusion in ab initio molecular dynamics.Benchmarking of density functionals for the kinetics and thermodynamics of the hydrolysis of glycosidic bonds catalyzed by glycosidases
P2860

Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel

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http://www.wikidata.org/entity/Q33998186
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2014 nî lūn-bûn
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2014 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2014 թվականի հունվարին հրատարակված գիտական հոդված
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2014年の論文
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2014年論文
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2014年論文
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2014年論文
@zh-hk
2014年論文
@zh-mo
2014年論文
@zh-tw
2014年论文
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name
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
@ast
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
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type
label
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
@ast
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
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prefLabel
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
@ast
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
@en
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P5875
P698
P932
P356
P1433
P1476
Benchmark Study of the SCC-DFTB Approach for a Biomolecular Proton Channel
@en
P2093
P2860
P304
P31
P356
P433
P478
P50
P577
P5875
P698
P932