Combining a polarizable force-field and a coarse-grained polarizable solvent model: application to long dynamics simulations of bovine pancreatic trypsin inhibitor.

Combining a polarizable force-field and a coarse-grained polarizable solvent model: application to long dynamics simulations of bovine pancreatic trypsin inhibitor.

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http://www.wikidata.org/entity/Q51890634
A Transferable Coarse Grain Non-bonded Interaction Model For Amino Acids.Trends in template/fragment-free protein structure predictionSolvating atomic level fine-grained proteins in supra-molecular level coarse-grained water for molecular dynamics simulations.Incorporating dipolar solvents with variable density in Poisson-Boltzmann electrostatics.Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applicationsOn developing coarse-grained models for biomolecular simulation: a review.Multi-resolution simulation of biomolecular systems: a review of methodological issues.Perspective: Coarse-grained models for biomolecular systems.Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions.Polarization effects in molecular mechanical force fieldsThe fast multipole method and point dipole moment polarizable force fields.A multiscale coarse-grained polarizable solvent model for handling long tail bulk electrostatics.Prediction of nitroxide hyperfine coupling constants in solution from combined nanosecond scale simulations and quantum computations.Adaptive resolution simulations of biomolecular systems.Protein simulation using coarse-grained two-bead multipole force field with polarizable water models.Mixing coarse-grained and fine-grained water in molecular dynamics simulations of a single systemComputational Approaches for Studying Drug Binding Kinetics
P2860

Combining a polarizable force-field and a coarse-grained polarizable solvent model: application to long dynamics simulations of bovine pancreatic trypsin inhibitor.

Item
http://www.wikidata.org/entity/Q51890634
description
2008 nî lūn-bûn
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2008年の論文
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2008年学术文章
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2008年学术文章
@zh
2008年学术文章
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2008年学术文章
@zh-hans
2008年学术文章
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2008年学术文章
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2008年學術文章
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2008年學術文章
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name
Combining a polarizable force- ...... pancreatic trypsin inhibitor.
@en
Combining a polarizable force- ...... pancreatic trypsin inhibitor.
@nl
type
label
Combining a polarizable force- ...... pancreatic trypsin inhibitor.
@en
Combining a polarizable force- ...... pancreatic trypsin inhibitor.
@nl
prefLabel
Combining a polarizable force- ...... pancreatic trypsin inhibitor.
@en
Combining a polarizable force- ...... pancreatic trypsin inhibitor.
@nl
P1433
P1476
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698
P356
P1433
P1476
Combining a polarizable force- ...... pancreatic trypsin inhibitor.
@en
P2093
P2860
P304
P31
P356
P433
P478
P577
P5875
P698