Keywords: چشم انداز انرژی آزاد; Metallic glasses; Collective diffusion; Accelerated molecular dynamics; Free energy landscape;
مقالات ISI چشم انداز انرژی آزاد (ترجمه نشده)
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Keywords: چشم انداز انرژی آزاد; Molecular dynamics simulations; Membrane protein; Ion channel; Transporter; G-protein coupled receptor; Free energy landscape;
Keywords: چشم انداز انرژی آزاد; MD; molecular dynamics; OT; optical tweezers; FRET; Förster resonance energy transfer; AFM; atomic force microscope; FEL; free energy landscape; Csp; cold shock protein; SMFS; single-molecule force spectroscopy; smFRET; single-molecule FRET; single-molec
Keywords: چشم انداز انرژی آزاد; Temperature-modulation spectroscopy; Non-equilibrium systems; Non-linear response; Free energy landscape; Effective temperature;
Keywords: چشم انداز انرژی آزاد; Tandem modular protein; Free energy landscape; Force spectroscopy; Tissue elasticity; Protein folding; Langevin dynamics;
Keywords: چشم انداز انرژی آزاد; Supramolecular assembly; Autonomous oscillation; The Second Law; Langevin dynamics; Free energy landscape; Limit cycle
NMR methods to dissect the molecular mechanisms of disease-related mutations (DRMs): Understanding how DRMs remodel functional free energy landscapes
Keywords: چشم انداز انرژی آزاد; DRM; disease-related mutation; NMR; nuclear magnetic resonance; NNE; nearest neighbour effect; cAMP; cyclic Adenosine MonoPhosphate; ROESY; rotating frame nuclear Overhauser Effect SpectroscopY; CHESPA; CHEmical Shift Projection Analysis; CHESCA; chemical
A metadynamic approach to understand the recognition mechanism of the histone H3 tail with the ATRXADD domain
Keywords: چشم انداز انرژی آزاد; ADD domain of ATRX; Methylated histone H3; Molecular dynamics; Metadynamics; Free energy landscape; Recognition mechanism;
Anesthetics mechanism on a DMPC lipid membrane model: Insights from molecular dynamics simulations
Keywords: چشم انداز انرژی آزاد; Local anesthetics; Lipid membranes; Free energy landscape; Metadynamics; Expanded ensemble; Molecular dynamics;
Molecular investigation of active binding site of isoniazid (INH) and insight into resistance mechanism of S315T-MtKatG in Mycobacterium tuberculosis
Keywords: چشم انداز انرژی آزاد; MDR TB; INH resistance; INH binding site; Molecular dynamics; MM-PBSA; PCA; FEL; MtKatG; Mycobacterium tuberculosis KatG; MDR; Multi drug resistant; TB; Tuberculosis; Mtb; Mycobacterium tuberculosi; INH; Isoniazid; MD; molecular dynamics; PCA; Principal c
Simulations of flow induced structural transition of the β-switch region of glycoprotein Ibα
Keywords: چشم انداز انرژی آزاد; Glycoprotein Ibα; Protein conformational transition; Metadynamics; Free energy landscape; Molecular dynamics;
Molecular dynamics simulation and free energy landscape methods in probing L215H, L217R and L225M βI-tubulin mutations causing paclitaxel resistance in cancer cells
Keywords: چشم انداز انرژی آزاد; Microtubule; βI-tubulin; Paclitaxel; Drug resistance; Molecular dynamics simulation; Free energy landscape; WT; wild type; MT; mutant type; Ptxl; paclitaxel; MD; molecular dynamics; PCA; principle component analysis; FEL; free energy landscape; RMSD; roo
Molecular dynamics simulation study reveals potential substrate entry path into γ-secretase/presenilin-1
Keywords: چشم انداز انرژی آزاد; PS1; presenilin 1; APP; amyloid precursor protein; AD; Alzheimer's disease; NTF; N-terminal Fragment; CTF; C-terminal Fragment; TM; transmembrane domain; POPC; 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine; POPE; 1-palmitoyl-2-oleoyl-sn-glycero-3-pho
Structural perspective of ARHI mediated inhibition of STAT3 signaling: An insight into the inactive to active transition of ARHI and its interaction with STAT3 and importinβ
Keywords: چشم انداز انرژی آزاد; ARHI; Aplasia Ras Homologue member I; STAT3; Signal Transducer and Activator of Transcription 3; NTD; N-terminal domain; CCD; Coiled-coil domain; DBD; DNA binding domain; LD; Linker domain; SH2; Src-homology-2 domain; TAD; transactivation domain; LOH; los
Molecular mechanism of Ca2Â +-catalyzed fusion of phospholipid micelles
Keywords: چشم انداز انرژی آزاد; Membrane fusion; Ca2Â +Â -lipid cluster; Pre-stalk state; Stalk state; Free energy landscape; Fusion mechanism;
Molecular dynamics simulations of the coenzyme induced conformational changes of Mycobacterium tuberculosisl-alanine dehydrogenase
Keywords: چشم انداز انرژی آزاد; l-Alanine dehydrogenase; Mycobacterium tuberculosis; Principle component analysis; Free energy landscape; Molecular dynamics simulations
An understanding of chemoselective hydrogenation on crotonaldehyde over Pt(1 1 1) in the free energy landscape: The microkinetics study based on first-principles calculations
Keywords: چشم انداز انرژی آزاد; DFT; Microkinetics; α,β-Unsaturated aldehydes; Crotonaldehyde; Pt(1 1 1); Selective hydrogenation; Free energy landscape
Molecular dynamics investigation of cyclic natriuretic peptides: Dynamic properties reflect peptide activity
Keywords: چشم انداز انرژی آزاد; Cyclic peptide; Natriuretic peptide; Molecular dynamics; Free energy landscape; Dynamics and function conservation
Molecular mechanism for the effects of trehalose on β-hairpin folding revealed by molecular dynamics simulation
Keywords: چشم انداز انرژی آزاد; Molecular simulation; Osmolyte; Peptide folding; Free energy landscape; Hydrogen bond
A shorter peptide model from staphylococcal nuclease for the folding-unfolding equilibrium of a β-hairpin shows that unfolded state has significant contribution from compact conformational states
Keywords: چشم انداز انرژی آزاد; Free energy landscape; Hairpin; Unfolded state; Staphylococcal nuclease; Molecular dynamics; GROMOS96; Protein folding; Kinetics;
Tuning λ6–85 Towards Downhill Folding at its Melting Temperature
Keywords: چشم انداز انرژی آزاد; lambda repressor; free energy landscape; intermediate; fluorescence; temperature jumpANS, 8-anilino-1-naphthalene sulfonate; SVD, singular value decomposition
Refolding studies using pressure: The folding landscape of lysozyme in the pressure-temperature plane
Keywords: چشم انداز انرژی آزاد; Folding; Lysozyme; Funnel; Free energy landscape; High pressure;
Free Energy Landscapes of RNA/RNA Complexes: With Applications to snRNA Complexes in Spliceosomes
Keywords: چشم انداز انرژی آزاد; free energy landscape; folding pathways; misfolded state; major and minor spliceosomes; RNA/RNA complexpre-mRNA, pre-messenger RNA; snRNAs, small nuclear RNAs; snRNPs, small nuclear ribonucleoprotein particles; ss, splice site