Enhanced conformational space sampling improves the prediction of chemical shifts in proteins. - Wikidata - wikimedia - TriplyDB

Enhanced conformational space sampling improves the prediction of chemical shifts in proteins.

Enhanced conformational space sampling improves the prediction of chemical shifts in proteins.

http://www.wikidata.org/entity/Q42929913

about

SHIFTX2: significantly improved protein chemical shift prediction Solution NMR refinement of a metal ion bound protein using metal ion inclusive restrained molecular dynamics methods Ensemble-based interpretations of NMR structural data to describe protein internal dynamics.PPM_One: a static protein structure based chemical shift predictor.Molecular-level simulation of pandemic influenza glycoproteins.PPM: a side-chain and backbone chemical shift predictor for the assessment of protein conformational ensembles.Cyclophilin A catalyzes proline isomerization by an electrostatic handle mechanism.Toward Closing the Gap: Quantum Mechanical Calculations and Experimentally Measured Chemical Shifts of a Microcrystalline Lectin.Describing sequence-ensemble relationships for intrinsically disordered proteins.Accessing a hidden conformation of the maltose binding protein using accelerated molecular dynamics Molecular dynamics simulations and drug discovery Studying functional dynamics in bio-molecules using accelerated molecular dynamics.Using Selectively Applied Accelerated Molecular Dynamics to Enhance Free Energy Calculations.P.Arg82Leu von Hippel-Lindau (VHL) gene mutation among three members of a family with familial bilateral pheochromocytoma in India: molecular analysis and in silico characterization.On the Use of Accelerated Molecular Dynamics to Enhance Configurational Sampling in Ab Initio Simulations.Accelerating chemical reactions: exploring reactive free-energy surfaces using accelerated ab initio molecular dynamics Implementation of Accelerated Molecular Dynamics in NAMD Enhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics.Protecting High Energy Barriers: A New Equation to Regulate Boost Energy in Accelerated Molecular Dynamics Simulations.Resolving the complex role of enzyme conformational dynamics in catalytic function.Dynamics and calcium association to the N-terminal regulatory domain of human cardiac troponin C: a multiscale computational study Improved chemical shift prediction by Rosetta conformational sampling.Assessing and refining molecular dynamics simulations of proteins with nuclear magnetic resonance data.Correlation of chemical shifts predicted by molecular dynamics simulations for partially disordered proteins Accounting for receptor flexibility and enhanced sampling methods in computer-aided drug design.Biomolecularmodeling and simulation: a field coming of age.Conformational propensities of intrinsically disordered proteins from NMR chemical shifts.Enhanced molecular dynamics sampling of drug target conformations.Protein dynamics and function from solution state NMR spectroscopy.Non-active site mutations disturb the loop dynamics, dimerization, viral budding and egress of VP40 of the Ebola virus.State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions.Conformational Dynamics of the Partially Disordered Yeast Transcription Factor GCN4 Localization of Millisecond Dynamics: Dihedral Entropy from Accelerated MD.Interpreting protein structural dynamics from NMR chemical shifts.Adaptive Accelerated Molecular Dynamics (Ad-AMD) Revealing the Molecular Plasticity of P450cam.In silico profiling and structural insights of missense mutations in RET protein kinase domain by molecular dynamics and docking approach.Mapping protein conformational energy landscapes using NMR and molecular simulation.

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P2860

Enhanced conformational space sampling improves the prediction of chemical shifts in proteins.

http://www.wikidata.org/entity/Q42929913

description

2010 nî lūn-bûn

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2010年の論文

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2010年論文

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2010年论文

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2010年论文

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name

Enhanced conformational space ...... f chemical shifts in proteins.

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Enhanced conformational space ...... f chemical shifts in proteins.

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type

label

Enhanced conformational space ...... f chemical shifts in proteins.

@en

Enhanced conformational space ...... f chemical shifts in proteins.

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prefLabel

Enhanced conformational space ...... f chemical shifts in proteins.

@en

Enhanced conformational space ...... f chemical shifts in proteins.

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Journal of the American Chemical Society

P1476

Enhanced conformational space ...... f chemical shifts in proteins.

@en

P2093

Barrett L Abel

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

Carla F Cervantes

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

Elizabeth A Komives

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

Martin Blackledge

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

Phineus R L Markwick

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P2860

Structure of an IkappaBalpha/NF-kappaB complex

I kappa B: a specific inhibitor of the NF-kappa B transcription factor

TALOS+: a hybrid method for predicting protein backbone torsion angles from NMR chemical shifts

Consistent blind protein structure generation from NMR chemical shift data

Recognition dynamics up to microseconds revealed from an RDC-derived ubiquitin ensemble in solution

Solution structure of carbonmonoxy myoglobin determined from nuclear magnetic resonance distance and chemical shift constraints

NMR structures of biomolecules using field oriented media and residual dipolar couplings

A novel approach to the retrieval of structural and dynamic information from residual dipolar couplings using several oriented media in biomolecular NMR spectroscopy

Direct measurement of distances and angles in biomolecules by NMR in a dilute liquid crystalline medium

Simultaneous determination of protein backbone structure and dynamics from residual dipolar couplings.

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1220-1221

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10.1021/JA9093692

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J. Andrew McCammon

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2010-02-01T00:00:00Z

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2812018

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