Is an intuitive convergence definition of molecular dynamics simulations solely based on the root mean square deviation possible? - Wikidata - awgldk - TriplyDB

Is an intuitive convergence definition of molecular dynamics simulations solely based on the root mean square deviation possible?

Is an intuitive convergence definition of molecular dynamics simulations solely based on the root mean square deviation possible?

http://www.wikidata.org/entity/Q35134806

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The Calcium Goes Meow: Effects of Ions and Glycosylation on Fel d 1, the Major Cat Allergen.Design and evaluation of an apta-nano-sensor to detect Acetamiprid in vitro and in silico.Current status and future challenges in T-cell receptor/peptide/MHC molecular dynamics simulations.Exploring peptide/MHC detachment processes using hierarchical natural move Monte Carlo.Relaxation estimation of RMSD in molecular dynamics immunosimulations Interactions of 2'-O-methyl oligoribonucleotides with the RNA models of the 30S subunit A-site.Comparison of two simulation methods to compute solvation free energies and partition coefficients.High throughput nonparametric probability density estimation.Human DHEA sulfation requires direct interaction between PAPS synthase 2 and DHEA sulfotransferase SULT2A1.

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P2860

Is an intuitive convergence definition of molecular dynamics simulations solely based on the root mean square deviation possible?

http://www.wikidata.org/entity/Q35134806

description

2011 nî lūn-bûn

@nan

2011 թուականի Յունիսին հրատարակուած գիտական յօդուած

@hyw

2011 թվականի հունիսին հրատարակված գիտական հոդված

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2011年の論文

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2011年論文

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2011年論文

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2011年論文

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2011年論文

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2011年論文

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2011年论文

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name

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Journal of Computational Biology

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Is an intuitive convergence de ...... ean square deviation possible?

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B Knapp

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M Cibena

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P Bauer

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S Frantal

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W Schreiner

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P2860

A comparative approach linking molecular dynamics of altered peptide ligands and MHC with in vivo immune responses

Scalable molecular dynamics with NAMD

The Amber biomolecular simulation programs

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

Molecular dynamics and protein function.

Molecular dynamics simulations.

Ensemble-based convergence analysis of biomolecular trajectories.

High temperature unfolding of Bacillus anthracis amidase-03 by molecular dynamics simulations.

Quantifying uncertainty and sampling quality in biomolecular simulations

3-Layer-based analysis of peptide-MHC interaction: in silico prediction, peptide binding affinity and T cell activation in a relevant allergen-specific model.

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997-1005

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scholarly article

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10.1089/CMB.2010.0237

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8

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18

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2011-06-24T00:00:00Z

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51247418

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21702691

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