Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties

Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties

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http://www.wikidata.org/entity/Q28392482
On the relationship between NMR-derived amide order parameters and protein backbone entropy changesConformational Entropy of Intrinsically Disordered Proteins from Amino Acid TriadsShortening a loop can increase protein native state entropy.Long-timescale molecular-dynamics simulations of the major urinary protein provide atomistic interpretations of the unusual thermodynamics of ligand binding.Accurate prediction of the binding free energy and analysis of the mechanism of the interaction of replication protein A (RPA) with ssDNA.Exploring binding properties of agonists interacting with a δ-opioid receptor.Statistical mechanics and molecular dynamics in evaluating thermodynamic properties of biomolecular recognition.Retention of conformational entropy upon calmodulin binding to target peptides is driven by transient salt bridgesComparing Conformational Ensembles Using the Kullback-Leibler Divergence Expansion.Conformational contribution to thermodynamics of binding in protein-peptide complexes through microscopic simulationLupin Peptides Modulate the Protein-Protein Interaction of PCSK9 with the Low Density Lipoprotein Receptor in HepG2 Cells.Using NMR to study fast dynamics in proteins: methods and applications.Current and emerging opportunities for molecular simulations in structure-based drug design.Calculating binding free energies of host-guest systems using the AMOEBA polarizable force field.Multiscale Persistent Functions for Biomolecular Structure Characterization.DNA conformational flexibility study using phosphate backbone neutralization model.
P2860

Absolute Single-Molecule Entropies from Quasi-Harmonic Analysis of Microsecond Molecular Dynamics: Correction Terms and Convergence Properties

Item
http://www.wikidata.org/entity/Q28392482
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2009 nî lūn-bûn
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2009 թուականի Դեկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի դեկտեմբերին հրատարակված գիտական հոդված
@hy
2009年の論文
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2009年学术文章
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2009年学术文章
@zh-cn
2009年学术文章
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2009年学术文章
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2009年学术文章
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2009年學術文章
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name
Absolute Single-Molecule Entro ...... rms and Convergence Properties
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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type
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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Absolute Single-Molecule Entro ...... rms and Convergence Properties
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P1433
P1476
P2093
P2860
P304
P31
P3181
P356
P407
P433
P478
P50
P577
P5875
P698
P921
P932
P3181
P356
P1433
P1476
Absolute Single-Molecule Entro ...... rms and Convergence Properties
@en
P2093
P2860
P304
P31
P3181
P356
P407
P433
P478
P50
P577
P5875
P698
P921
P932