Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types. - Wikidata - thesis-toulmin - TriplyDB

Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types.

Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types.

http://www.wikidata.org/entity/Q29616710

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Structure and function of an irreversible agonist-β(2) adrenoceptor complex Molecular dynamics simulations of biological membranes and membrane proteins using enhanced conformational sampling algorithms Monoamine transporters: insights from molecular dynamics simulations Bridging scales through multiscale modeling: a case study on protein kinase A Visualizing functional motions of membrane transporters with molecular dynamics simulations Computational modeling of membrane proteins Counterion-mediated cluster formation by polyphosphoinositides Spontaneous inward opening of the dopamine transporter is triggered by PIP2-regulated dynamics of the N-terminus Membrane omega-3 fatty acids modulate the oligomerisation kinetics of adenosine A2A and dopamine D2 receptors.Molecular switches of the κ opioid receptor triggered by 6'-GNTI and 5'-GNTI.Molecular dynamic simulations reveal the structural determinants of Fatty Acid binding to oxy-myoglobin Pathways and Barriers for Ion Translocation through the 5-HT3A Receptor Channel Molecular dynamics simulations of the mammalian glutamate transporter EAAT3 A conserved leucine occupies the empty substrate site of LeuT in the Na(+)-free return state.Interactions of L-3,5,3'-Triiodothyronine [corrected], Allopregnanolone, and Ivermectin with the GABAA Receptor: Evidence for Overlapping Intersubunit Binding Modes An electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.Evolutionary Dynamics of the Cellulose Synthase Gene Superfamily in Grasses Complete mapping of substrate translocation highlights the role of LeuT N-terminal segment in regulating transport cycle A new model for pore formation by cholesterol-dependent cytolysins Membrane Mediated Antimicrobial and Antitumor Activity of Cathelicidin 6: Structural Insights from Molecular Dynamics Simulation on Multi-Microsecond Scale Crystal Structure of an Ammonia-Permeable Aquaporin Structure-guided simulations illuminate the mechanism of ATP transport through VDAC1 Structural insights into electron transfer in caa3-type cytochrome oxidase High-resolution crystal structure of human protease-activated receptor 1 Structure of the Disulfide Bond Generating Membrane Protein DsbB in the Lipid Bilayer Crystal structure and functional mechanism of a human antimicrobial membrane channel Structure of the integral membrane protein CAAX protease Ste24p.Structure and dynamics of the M3 muscarinic acetylcholine receptor Subangstrom Resolution X-Ray Structure Details Aquaporin-Water Interactions A two-domain elevator mechanism for sodium/proton antiport Structural insight into the biogenesis of β-barrel membrane proteins A Structural Study of Ion Permeation in OmpF Porin from Anomalous X-ray Diffraction and Molecular Dynamics Simulations Copper-transporting P-type ATPases use a unique ion-release pathway High-Resolution Structures and Orientations of Antimicrobial Peptides Piscidin 1 and Piscidin 3 in Fluid Bilayers Reveal Tilting, Kinking, and Bilayer Immersion Structure and Immunogenicity of a Peptide Vaccine, Including the Complete HIV-1 gp41 2F5 Epitope Structure and permeation mechanism of a mammalian urea transporter.Structure of the Neisserial outer membrane protein Opa₆₀: loop flexibility essential to receptor recognition and bacterial engulfment.Crystal structures of the calcium pump and sarcolipin in the Mg2+-bound E1 state A structural model of the active ribosome-bound membrane protein insertase YidC Crystal structure of Na+, K(+)-ATPase in the Na(+)-bound state

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P2860

Update of the CHARMM all-atom additive force field for lipids: validation on six lipid types.

http://www.wikidata.org/entity/Q29616710

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

@zh-hk

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

Update of the CHARMM all-atom ...... validation on six lipid types.

@ast

Update of the CHARMM all-atom ...... validation on six lipid types.

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type

label

Update of the CHARMM all-atom ...... validation on six lipid types.

@ast

Update of the CHARMM all-atom ...... validation on six lipid types.

@en

prefLabel

Update of the CHARMM all-atom ...... validation on six lipid types.

@ast

Update of the CHARMM all-atom ...... validation on six lipid types.

@en

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P1433

Journal of Physical Chemistry B

P1476

Update of the CHARMM all-atom ...... validation on six lipid types.

@en

P2093

Alexander D MacKerell

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

Carlos Mondragon-Ramirez

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

Douglas J Tobias

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

Igor Vorobyov

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

J Alfredo Freites

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

Jeffery B Klauda

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

Joseph W O'Connor

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

Richard M Venable

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

Richard W Pastor

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

P2860

Canonical dynamics: Equilibrium phase-space distributions

Effect of chain length and unsaturation on elasticity of lipid bilayers.

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

CHARMM: the biomolecular simulation program

All-atom empirical potential for molecular modeling and dynamics studies of proteins

Scalable molecular dynamics with NAMD

Development and testing of a general amber force field

New view of lipid bilayer dynamics from 2H and 13C NMR relaxation time measurements.

Lipid bilayers, NMR relaxation, and computer simulations.

Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. II. Distribution and packing of terminal methyl groups

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7830-7843

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scholarly article

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228685

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10.1021/JP101759Q

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23

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114

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2010-06-01T00:00:00Z

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44625016

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20496934

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2922408

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