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

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

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

http://www.wikidata.org/entity/Q27860468

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Proton-binding sites of acid-sensing ion channel 1 Hierarchical structure controls nanomechanical properties of vimentin intermediate filaments A post-synaptic scaffold at the origin of the animal kingdom Model structure of human APOBEC3G Computational analysis of phosphopeptide binding to the polo-box domain of the mitotic kinase PLK1 using molecular dynamics simulation A systematic framework for molecular dynamics simulations of protein post-translational modifications An enzymatic atavist revealed in dual pathways for water activation Molecular recognition of CCR5 by an HIV-1 gp120 V3 loop Modelling biological complexity: a physical scientist's perspective Substrate recognition by the Lyn protein-tyrosine kinase. NMR structure of the immunoreceptor tyrosine-based activation motif signaling region of the B cell antigen receptor 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 insight into substrate recognition by human cytosolic sialidase NEU2 Structure-function analyses point to a polynucleotide-accommodating groove essential for APOBEC3A restriction activities 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 Crystal structure of the human urokinase plasminogen activator receptor bound to an antagonist peptide Domain movements in human fatty acid synthase by quantized elastic deformational model.The unbinding of ATP from F1-ATPase An implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins.Membrane electroporation: a molecular dynamics simulation.Similarities and differences in interaction of K+ and Na+ with condensed ordered DNA. A molecular dynamics computer simulation study Onset of anthrax toxin pore formation Substrate conformational transitions in the active site of chorismate mutase: their role in the catalytic mechanism Principles of conduction and hydrophobic gating in K+ channels 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 Water wires in atomistic models of the Hv1 proton channel Structure and function of an irreversible agonist-β(2) adrenoceptor complex Revisiting hydrophobic mismatch with free energy simulation studies of transmembrane helix tilt and rotation Pseudoknots in prion protein mRNAs confirmed by comparative sequence analysis and pattern searching CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields Modeling effects of human single nucleotide polymorphisms on protein-protein interactions SCWRL and MolIDE: computer programs for side-chain conformation prediction and homology modeling Yeast chorismate mutase in the R state: simulations of the active site Comparative molecular modeling of Anopheles gambiae CYP6Z1, a mosquito P450 capable of metabolizing DDT Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observations Mechanism of the quorum-quenching lactonase (AiiA) from Bacillus thuringiensis. 2. Substrate modeling and active site mutations Balancing solvation and intramolecular interactions: toward a consistent generalized Born force field Design of protein-ligand binding based on the molecular-mechanics energy model

P2860

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P2860

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

http://www.wikidata.org/entity/Q27860468

description

1998 nî lūn-bûn

@nan

1998 թուականի Ապրիլին հրատարակուած գիտական յօդուած

@hyw

1998 թվականի ապրիլին հրատարակված գիտական հոդված

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1998年の論文

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1998年論文

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1998年論文

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1998年論文

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1998年論文

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1998年論文

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1998年论文

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name

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

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

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

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type

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

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

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

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

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

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

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

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P2093

A D MacKerell

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B Prodhom

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B Roux

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C Mattos

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D Bashford

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D Joseph-McCarthy

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D T Nguyen

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D Yin

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F T Lau

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H Guo

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scholarly article

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10.1021/JP973084F

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215625785

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24889800

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