Systematic coarse-graining of molecular models by the Newton inversion method

scientific article published in January 2010

Systematic coarse-graining of molecular models by the Newton inversion method is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1039/B901511F
P698PubMed publication ID20158022
P5875ResearchGate publication ID41449957

P50authorAatto LaaksonenQ40207561
Alexander P LyubartsevQ42425365
P2093author name stringLiJun Chen
Alexander Mirzoev
P2860cites workUnified Approach for Molecular Dynamics and Density-Functional TheoryQ21706191
Theoretical studies of enzymic reactions: dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozymeQ28291671
A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulationsQ29305558
Structure of fully hydrated fluid phase DMPC and DLPC lipid bilayers using X-ray scattering from oriented multilamellar arrays and from unilamellar vesicles.Q34189750
Modification of the CHARMM force field for DMPC lipid bilayer.Q34782833
Multiscale simulation of soft matter: from scale bridging to adaptive resolutionQ37025975
The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained modelsQ37163952
Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching.Q50100316
Deriving effective mesoscale potentials from atomistic simulations.Q52010759
M.DynaMix – a scalable portable parallel MD simulation package for arbitrary molecular mixturesQ56866501
Effective thermostat induced by coarse graining of simple point charge waterQ58839086
P304page(s)43-56; discussion 93-110, 467-81
P577publication date2010-01-01
P1433published inFaraday DiscussionsQ385884
P1476titleSystematic coarse-graining of molecular models by the Newton inversion method
P478volume144

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