Force Field for Peptides and Proteins based on the Classical Drude Oscillator - Test2 - elhamkhani - TriplyDB

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

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

http://www.wikidata.org/entity/Q30358273

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MD Simulations of tRNA and Aminoacyl-tRNA Synthetases: Dynamics, Folding, Binding, and Allostery Recent Advances in Polarizable Force Fields for Macromolecules: Microsecond Simulations of Proteins Using the Classical Drude Oscillator Model Cyclophilin A stabilizes the HIV-1 capsid through a novel non-canonical binding site.Elucidating factors important for monovalent cation selectivity in enzymes: E. coli β-galactosidase as a model MoD-QM/MM Structural Refinement Method: Characterization of Hydrogen Bonding in the Oxytricha nova G-Quadruplex Modeling Electronic Polarizability Changes in the Course of a Magnesium Ion Water Ligand Exchange Process An Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent Applications Metal Ion Modeling Using Classical Mechanics Simultaneous Optimization of Biomolecular Energy Functions on Features from Small Molecules and Macromolecules.CHARMM Drude Polarizable Force Field for Aldopentofuranoses and Methyl-aldopentofuranosides.Capturing Many-Body Interactions with Classical Dipole Induction Models.Computational Methodologies for Real-Space Structural Refinement of Large Macromolecular Complexes.Induction of peptide bond dipoles drives cooperative helix formation in the (AAQAA)3 peptide Polarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.Modeling, molecular dynamics, and docking assessment of transcription factor rho: a potential drug target in Brucella melitensis 16M.Variational cross-validation of slow dynamical modes in molecular kinetics.Representation of Ion-Protein Interactions Using the Drude Polarizable Force-Field.Numerical study on the partitioning of the molecular polarizability into fluctuating charge and induced atomic dipole contributions.Prebiotic synthesis of nucleic acids and their building blocks at the atomic level - merging models and mechanisms from advanced computations and experiments.Further along the Road Less Traveled: AMBER ff15ipq, an Original Protein Force Field Built on a Self-Consistent Physical Model Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics.Induced Dipole-Dipole Interactions Influence the Unfolding Pathways of Wild-Type and Mutant Amyloid β-Peptides.CHARMM-GUI PDB manipulator for advanced modeling and simulations of proteins containing nonstandard residues.ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB.Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.Structural and functional characterization of a calcium-activated cation channel from Tsukamurella paurometabola.Perspective: Quantum mechanical methods in biochemistry and biophysics.Truncated Conjugate Gradient: An Optimal Strategy for the Analytical Evaluation of the Many-Body Polarization Energy and Forces in Molecular Simulations.Structure of Penta-Alanine Investigated by Two-Dimensional Infrared Spectroscopy and Molecular Dynamics Simulation A Comparative Study of Transferable Aspherical Pseudoatom Databank and Classical Force Fields for Predicting Electrostatic Interactions in Molecular Dimers.QM/MM calculations with deMon2k.Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic Lipids Advances in free-energy-based simulations of protein folding and ligand binding.Vibrational Stark spectroscopy for assessing ligand-binding strengths in a protein.Mode specific THz spectra of solvated amino acids using the AMOEBA polarizable force field.CHARMM-GUI 10 years for biomolecular modeling and simulation.Drude polarizable force field for aliphatic ketones and aldehydes, and their associated acyclic carbohydrates.Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)4+ Interactions.LiCl solvation in N-methyl-acetamide (NMA) as a model for understanding Li(+) binding to an amide plane.Empirical Optimization of Interactions between Proteins and Chemical Denaturants in Molecular Simulations.

P2860

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P2860

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

http://www.wikidata.org/entity/Q30358273

description

2013 nî lūn-bûn

@nan

2013 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած

@hyw

2013 թվականի դեկտեմբերին հրատարակված գիտական հոդված

@hy

2013年の論文

@ja

2013年論文

@yue

2013年論文

@zh-hant

2013年論文

@zh-hk

2013年論文

@zh-mo

2013年論文

@zh-tw

2013年论文

@wuu

name

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

@ast

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

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type

label

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

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

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prefLabel

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

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

@en

P1433

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P1433

Journal of Chemical Theory and Computation

P1476

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

@en

P2093

Benoît Roux

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

Hui Li

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

Jihyun Shim

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

Pedro E M Lopes

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

Yun Luo

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

P2860

Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations

SPARTA+: a modest improvement in empirical NMR chemical shift prediction by means of an artificial neural network

Improved side-chain torsion potentials for the Amber ff99SB protein force field

CHARMM: the biomolecular simulation program

Optimization by Simulated Annealing

Structure of dethiobiotin synthetase at 0.97 A resolution

Accurate protein crystallography at ultra-high resolution: valence electron distribution in crambin

Refinement of the structure of recombinant rat intestinal fatty acid-binding apoprotein at 1.2-A resolution

Trimming Down a Protein Structure to Its Bare Foldons: SPATIAL ORGANIZATION OF THE COOPERATIVE UNIT

Spatial elucidation of motion in proteins by ensemble-based structure calculation using exact NOEs

P304

5430-5449

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P31

scholarly article

P356

10.1021/CT400781B

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P433

12

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P478

9

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P577

2013-12-01T00:00:00Z

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259883946

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24459460

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P932

3896220

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