Scalable molecular dynamics with NAMD - Wikidata - awgldk - TriplyDB

Scalable molecular dynamics with NAMD

Scalable molecular dynamics with NAMD

http://www.wikidata.org/entity/Q27860718

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Charged residues distribution modulates selectivity of the open state of human isoforms of the voltage dependent anion-selective channel Catalytic mechanism of cellulose degradation by a cellobiohydrolase, CelS Role of histone tails in structural stability of the nucleosome Conformational study of the protegrin-1 (PG-1) dimer interaction with lipid bilayers and its effect Localization of putative binding sites for cyclic guanosine monophosphate and the anti-cancer drug 5-fluoro-2'-deoxyuridine-5'-monophosphate on ABCC11 in silico models Mineral and Protein-Bound Water and Latching Action Control Mechanical Behavior at Protein-Mineral Interfaces in Biological Nanocomposites Molecular dynamics and mutational analysis of the catalytic and translocation cycle of RNA polymerase.Designing inhibitors of cytochrome c/cardiolipin peroxidase complexes: mitochondria-targeted imidazole-substituted fatty acids The novel BH3 α-helix mimetic JY-1-106 induces apoptosis in a subset of cancer cells (lung cancer, colon cancer and mesothelioma) by disrupting Bcl-xL and Mcl-1 protein-protein interactions with Bak Molecular insights into the membrane-associated phosphatidylinositol 4-kinase IIα Interaction of the HIV-1 intasome with transportin 3 protein (TNPO3 or TRN-SR2)Palmitoylated calnexin is a key component of the ribosome-translocon complex.A computational study of RNA binding and specificity in the tandem zinc finger domain of TIS11d Lesion processing by a repair enzyme is severely curtailed by residues needed to prevent aberrant activity on undamaged DNA Structural insights into the catalytic active site and activity of human Nit2/ω-amidase: kinetic assay and molecular dynamics simulation Onset of anthrax toxin pore formation Non-destructive inhibition of metallofullerenol Gd@C(82)(OH)(22) on WW domain: implication on signal transduction pathway A C-terminally amidated analogue of ShK is a potent and selective blocker of the voltage-gated potassium channel Kv1.3 Identification of dynamical hinge points of the L1 ligase molecular switch Taming the complexity of protein folding Water wires in atomistic models of the Hv1 proton channel Computational identification of a transiently open L1/S3 pocket for reactivation of mutant p53 Structural basis for the coupling between activation and inactivation gates in K(+) channels Structure-based discovery of the novel antiviral properties of naproxen against the nucleoprotein of influenza A virus.CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields Druggability Assessment of Allosteric Proteins by Dynamics Simulations in the Presence of Probe Molecules The Structure of Mycobacterium tuberculosis CYP125: molecular basis for cholesterol binding in a P450 needed for host infection Crowded, cell-like environment induces shape changes in aspherical protein Collagen fibril architecture, domain organization, and triple-helical conformation govern its proteolysis Mg2+-sensing mechanism of Mg2+ transporter MgtE probed by molecular dynamics study On the nature of antimicrobial activity: a model for protegrin-1 pores CHARMM: the biomolecular simulation program The predominant role of coordination number in potassium channel selectivity A consensus view of protein dynamics Principles and Overview of Sampling Methods for Modeling Macromolecular Structure and Dynamics Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms Bridging scales through multiscale modeling: a case study on protein kinase A MD Simulations of tRNA and Aminoacyl-tRNA Synthetases: Dynamics, Folding, Binding, and Allostery Membrane Packing Problems: A short Review on computational Membrane Modeling Methods and Tools Visualizing functional motions of membrane transporters with molecular dynamics simulations

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P2860

Scalable molecular dynamics with NAMD

http://www.wikidata.org/entity/Q27860718

description

2005 nî lūn-bûn

@nan

2005 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած

@hyw

2005 թվականի դեկտեմբերին հրատարակված գիտական հոդված

@hy

2005年の論文

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2005年論文

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2005年論文

@zh-hant

2005年論文

@zh-hk

2005年論文

@zh-mo

2005年論文

@zh-tw

2005年论文

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name

Scalable molecular dynamics with NAMD

@ast

Scalable molecular dynamics with NAMD

@en

Scalable molecular dynamics with NAMD

@nl

type

label

Scalable molecular dynamics with NAMD

@ast

Scalable molecular dynamics with NAMD

@en

Scalable molecular dynamics with NAMD

@nl

prefLabel

Scalable molecular dynamics with NAMD

@ast

Scalable molecular dynamics with NAMD

@en

Scalable molecular dynamics with NAMD

@nl

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P1433

Journal of Computational Chemistry

P1476

Scalable molecular dynamics with NAMD

@en

P2093

Christophe Chipot

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

James C Phillips

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

James Gumbart

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

Laxmikant Kalé

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

Robert D Skeel

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

Wei Wang

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

P2860

Canonical dynamics: Equilibrium phase-space distributions

Control of the selectivity of the aquaporin water channel family by global orientational tuning

Crystal structure of lac repressor core tetramer and its implications for DNA looping

Crystal structure of the lactose operon repressor and its complexes with DNA and inducer

VMD: visual molecular dynamics

The ubiquitin system

Water conduction through the hydrophobic channel of a carbon nanotube

The mechanism of ubiquitin activating enzyme. A kinetic and equilibrium analysis

From folding theories to folding proteins: a review and assessment of simulation studies of protein folding and unfolding.

Steered molecular dynamics investigations of protein function.

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1781-802

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scholarly article

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151601

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P356

10.1002/JCC.20289

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16

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P478

26

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P50

Emad Tajkhorshid

Elizabeth Villa

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2005-12-01T00:00:00Z

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P5875

7542956

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16222654

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P921

molecular dynamics simulation

P932

2486339

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