Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.
about
From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.Scalable and fast heterogeneous molecular simulation with predictive parallelization schemes.Adaptive resolution simulations of biomolecular systems.Towards open boundary molecular dynamics simulation of ionic liquids.Thermodynamics of adaptive molecular resolution.Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues.Erratum: "Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties" [J. Chem. Phys. 142, 195101 (2015)].Adaptive resolution simulation of oligonucleotides.Simulation of macromolecular liquids with the adaptive resolution molecular dynamics technique.Formulation of Liouville's theorem for grand ensemble molecular simulations.A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site.Molecular simulations of self-assembling bio-inspired supramolecular systems and their connection to experiments.Communication: Adaptive boundaries in multiscale simulations.Open-Boundary Molecular Dynamics of a DNA Molecule in a Hybrid Explicit/Implicit Salt Solution.The relative entropy is fundamental to adaptive resolution simulations
P2860
Q47242852-E412AF23-A263-4A58-A51C-6496700CDB16Q47559456-A59729D8-A760-4089-8A2A-A9CAD747BBADQ47687957-42630EB2-6AB8-4318-AAB6-1681C30CE258Q47994097-53FA4EEC-ABAC-4153-BE62-AA9251E9B4D2Q48054342-65EAD26A-CF73-4CBB-820F-BEFD6AA9DEFDQ48058592-1069FFE4-35E8-4C02-B464-F6EBE6E0BFEDQ48288292-EA8AA89E-21AD-42E3-9980-31F175759438Q50532246-2BABF59B-8EA7-41AC-834D-96FFBB3B584CQ50583541-CCA63401-E7CB-4726-B98C-8C6450FC8DDFQ50690495-07FBF351-6EAE-49CE-827E-00CB66CBB41FQ51434391-650FECFF-0914-4386-9836-A755D4BD1C5DQ52567375-D8A81A31-79A8-4009-9AFD-0207C9BDDBFAQ52588423-DE873B92-13AC-41B3-BFE5-52A294B38851Q53411992-A0F1452E-3ADA-427B-AECA-45C5ACC16037Q57368955-B698BB57-51BC-4C89-BB9C-BBD8D48A304B
P2860
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.
description
2015 nî lūn-bûn
@nan
2015 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2015 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2015年の論文
@ja
2015年論文
@yue
2015年論文
@zh-hant
2015年論文
@zh-hk
2015年論文
@zh-mo
2015年論文
@zh-tw
2015年论文
@wuu
name
Adaptive resolution simulation ...... ural and dynamical properties.
@ast
Adaptive resolution simulation ...... ural and dynamical properties.
@en
type
label
Adaptive resolution simulation ...... ural and dynamical properties.
@ast
Adaptive resolution simulation ...... ural and dynamical properties.
@en
prefLabel
Adaptive resolution simulation ...... ural and dynamical properties.
@ast
Adaptive resolution simulation ...... ural and dynamical properties.
@en
P2860
P356
P1476
Adaptive resolution simulation ...... ural and dynamical properties.
@en
P2093
Aoife C Fogarty
Kurt Kremer
P2860
P304
P356
10.1063/1.4921347
P407
P577
2015-05-01T00:00:00Z