MMPBSA decomposition of the binding energy throughout a molecular dynamics simulation of amyloid-beta (Aß10-35) aggregation

Molecules

Volumn 15, Issue 4, 2010, Pages 2730-2748

  Campanera, Josep M ^a   Pouplana, Ramon ^a  

^a UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Alzheimer's disease; Amyloid beta (A ) peptides; Binding free energy calculations; Dimerization; Kepler scientific workflow; Replica exchange molecular dynamics (REMD)

Indexed keywords

AMYLOID BETA PROTEIN; AMYLOID BETA PROTEIN (10 35); AMYLOID BETA-PROTEIN (10-35); PEPTIDE FRAGMENT;

ALZHEIMER DISEASE; ARTICLE; CHEMISTRY; ENTROPY; HUMAN; HYDROPHOBICITY; METABOLISM; MOLECULAR DYNAMICS; POISSON DISTRIBUTION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN MULTIMERIZATION;

ALZHEIMER DISEASE; AMYLOID BETA-PROTEIN; ENTROPY; HUMANS; HYDROPHOBICITY; MOLECULAR DYNAMICS SIMULATION; PEPTIDE FRAGMENTS; POISSON DISTRIBUTION; PROTEIN BINDING; PROTEIN CONFORMATION; PROTEIN MULTIMERIZATION;

EID: 77951841239     PISSN: None     EISSN: 14203049     Source Type: Journal    
DOI: 10.3390/molecules15042730     Document Type: Article

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