Multi-resolution simulation of biomolecular systems: a review of methodological issues. - Wikidata - awgldk - TriplyDB

Multi-resolution simulation of biomolecular systems: a review of methodological issues.

Multi-resolution simulation of biomolecular systems: a review of methodological issues.

http://www.wikidata.org/entity/Q38082490

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Understanding DNA under oxidative stress and sensitization: the role of molecular modeling Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.SimGen: A General Simulation Method for Large Systems Theoretical frameworks for multiscale modeling and simulation The power of coarse graining in biomolecular simulations.Mechanistic insights into a classic wonder drug--aspirin.Amide Rotation Hindrance Predicts Proteolytic Resistance of Cystine-Knot Peptides.Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations.On the nature of interactions between ionic liquids and small amino-acid-based biomolecules.Validation of Molecular Simulation: An Overview of Issues.Lipid insertion domain unfolding regulates protein orientational transition behavior in a lipid bilayer.Exploration of swapping enzymatic function between two proteins: a simulation study of chorismate mutase and isochorismate pyruvate lyase.Quantum mechanics/coarse-grained molecular mechanics (QM/CG-MM).A general intermolecular force field based on tight-binding quantum chemical calculations.A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site.Combined QM(DFT)/MM molecular dynamics simulations of the deamination of cytosine by yeast cytosine deaminase (yCD).Adaptive QM/MM for Molecular Dynamics Simulations: 5. On the Energy-Conserved Permuted Adaptive-Partitioning Schemes

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P2860

Multi-resolution simulation of biomolecular systems: a review of methodological issues.

http://www.wikidata.org/entity/Q38082490

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article científic

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article scientifique

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articol științific

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articolo scientifico

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artigo científico

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artigo científico

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artikel ilmiah

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artículo científico

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name

Multi-resolution simulation of biomolecular systems: a review of methodological issues.

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type

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Multi-resolution simulation of biomolecular systems: a review of methodological issues.

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Multi-resolution simulation of biomolecular systems: a review of methodological issues.

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Angewandte Chemie International Edition

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Multi-resolution simulation of biomolecular systems: a review of methodological issues.

@en

P2093

Alexandra Choutko

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

Andreas P Eichenberger

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Katharina Meier

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Wilfred F van Gunsteren

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P2860

Unified Approach for Molecular Dynamics and Density-Functional Theory

A Suggested Interpretation of the Quantum Theory in Terms of "Hidden" Variables. I

Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism

Chromophore protonation state controls photoswitching of the fluoroprotein asFP595

A Suggested Interpretation of the Quantum Theory in Terms of "Hidden" Variables. II

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

Salicylate biosynthesis in Pseudomonas aeruginosa. Purification and characterization of PchB, a novel bifunctional enzyme displaying isochorismate pyruvate-lyase and chorismate mutase activities

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

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

The MARTINI force field: coarse grained model for biomolecular simulations

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2820-2834

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scholarly article

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10.1002/ANIE.201205408

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10

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52

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Sereina Riniker

Wilfred F van Gunsteren

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2013-02-18T00:00:00Z

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23417997

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