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Molecular Dynamics Inc sasa implicit solvent model
Sasa Implicit Solvent Model, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/sasa+implicit+solvent+model/sasa+implicit+solvent+model/pmc04457303-57-23-0
Average 90 stars, based on 1 article reviews
sasa implicit solvent model - by Bioz Stars, 2026-10
90/100 stars

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Solvent:

Article Title: Binding to the lipid monolayer induces conformational transition in Aβ monomer.
Article Snippet: Using implicit solvent atomistic model and replica exchange molecular dynamics, we study binding of Aβ monomer to zwitterionic dimyristoylphosphatidylcholine (DMPC) lipid monolayer.. Our results suggest that Aβ binding to the monolayer is governed primarily by positively charged and aromatic amino acids.. Lysine residues tend to interact with surface choline and phosphorous lipid groups, whereas aromatic amino acids penetrate deeper into the monolayer, reaching its hydrophobic core.

Article Title: Interpeptide interactions induce helix to strand structural transition in Aβ peptides
Article Snippet: .. Molecular dynamics simulations To perform simulations of Aβ peptides we used CHARMM MD program 35 and all-atom force field CHARMM19 coupled with the SASA implicit solvent model 36 . ..

Article Title: Computational backbone mutagenesis of A β peptides: Probing the role of backbone hydrogen bonds in aggregation
Article Snippet: .. Molecular dynamics simulations Simulations of A β peptides were performed using CHARMM MD program 37 and united atom force field CHARMM19 coupled with the SASA implicit solvent model. 38 Full description, applicability, and testing of the CHARMM19+SASA model can be found in our previous studies. ..



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