Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations - Wikidata - awgldk - TriplyDB

Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations

Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations

http://www.wikidata.org/entity/Q33922841

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Evaluating the effects of cutoffs and treatment of long-range electrostatics in protein folding simulations Revealing Atomic-Level Mechanisms of Protein Allostery with Molecular Dynamics Simulations Visualizing functional motions of membrane transporters with molecular dynamics simulations Structural and physico-chemical effects of disease and non-disease nsSNPs on proteins Molecular dynamics, monte carlo simulations, and langevin dynamics: a computational review Molecular modeling of the human P2Y14 receptor: A template for structure-based design of selective agonist ligands.Molecular dynamics simulations reveal proton transfer pathways in cytochrome C-dependent nitric oxide reductase Sidekick for Membrane Simulations: Automated Ensemble Molecular Dynamics Simulations of Transmembrane Helices.The Quantum Nature of Drug-Receptor Interactions: Deuteration Changes Binding Affinities for Histamine Receptor Ligands Modeling and simulation of ion channels.Internal Dynamics of a Coarse-Grained Protein Using Analytical Harmonic Representation.Quantum mechanically derived AMBER-compatible heme parameters for various states of the cytochrome P450 catalytic cycle.Methods to enable the design of bioactive small molecules targeting RNA.Disorder in cholesterol-binding functionality of CRAC peptides: a molecular dynamics study.Wavelet Analysis of Protein Motion Modeling and enhanced sampling of molecular systems with smooth and nonlinear data-driven collective variables.Structural dynamics and thermostabilization of neurotensin receptor 1 Molecular dynamics simulation in virus research.Molecular features of interaction between VEGFA and anti-angiogenic drugs used in retinal diseases: a computational approach The dynamic process of β(2)-adrenergic receptor activation Identification of motions in membrane proteins by elastic network models and their experimental validation.Recovery from slow inactivation in K+ channels is controlled by water molecules.Nanomaterials in biological environment: a review of computer modelling studies.Foundations for modeling the dynamics of gene regulatory networks: a multilevel-perspective review.Employing novel animal models in the design of clinically efficacious GPCR ligands.Permeation redux: thermodynamics and kinetics of ion movement through potassium channels.Exploring cavity dynamics in biomolecular systems.Computational generation inhibitor-bound conformers of p38 MAP kinase and comparison with experiments.Mimicking Peptides… In Silico.Insights from molecular dynamics simulations for computational protein design.ClickMD: an intuitive web-oriented molecular dynamics platform.Signal processing for molecular and cellular biological physics: an emerging field.Atomic-level simulation of current-voltage relationships in single-file ion channels.Temperature-sensitive gating of TRPV1 channel as probed by atomistic simulations of its trans- and juxtamembrane domains.On the functional significance of soft modes predicted by coarse-grained models for membrane proteins.A CONTINUUM HARD-SPHERE MODEL OF PROTEIN ADSORPTION.Limiting assumptions in molecular modeling: electrostatics.A mesoscopic approach to understanding the mechanisms underlying the ion permeation on the discrete-state diagram.Tris-thiourea tripodal-based molecules as chloride transmembrane transporters: insights from molecular dynamics simulations.Massive conformation change in the prion protein: Using dual-basin structure-based models to find misfolding pathways.

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P2860

Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations

http://www.wikidata.org/entity/Q33922841

description

2010 nî lūn-bûn

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2010 թուականի Յունիսին հրատարակուած գիտական յօդուած

@hyw

2010 թվականի հունիսին հրատարակված գիտական հոդված

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2010年の論文

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2010年論文

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2010年論文

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2010年論文

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2010年論文

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2010年論文

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2010年论文

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name

Exploring atomic resolution ph ...... molecular dynamics simulations

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type

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Exploring atomic resolution ph ...... molecular dynamics simulations

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Exploring atomic resolution ph ...... molecular dynamics simulations

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Exploring atomic resolution ph ...... molecular dynamics simulations

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Exploring atomic resolution ph ...... molecular dynamics simulations

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P1433

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The Journal of General Physiology

P1476

Exploring atomic resolution ph ...... molecular dynamics simulations

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P2093

David E Shaw

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

Morten Ø Jensen

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

Ron O Dror

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

P2860

Lipid-protein interactions in double-layered two-dimensional AQP0 crystals.

Principles of conduction and hydrophobic gating in K+ channels

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

Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observations

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

Energetic optimization of ion conduction rate by the K+ selectivity filter

Crystal structure of the human beta2 adrenergic G-protein-coupled receptor

Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment

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

Comparison of multiple Amber force fields and development of improved protein backbone parameters

P304

555-562

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scholarly article

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10.1085/JGP.200910373

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6

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135

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David W. Borhani

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2010-06-01T00:00:00Z

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44640863

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20513757

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2888062

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