Molecular surface modification of silver chalcogenolate clusters.
Sign Up to like & getrecommendations! Published in 2022 at "Dalton transactions"
DOI: 10.1039/d2dt00016d
Abstract: This study presents a molecular surface modification approach to synthesizing a family of silver chalcogenolate clusters (SCCs) containing the same [Ag12S6] core and different surface-bonded organic ligands (DMAc or pyridines; DMAc = dimethylacetamide), with the… read more here.
Keywords: surface modification; surface; silver chalcogenolate; chalcogenolate clusters ... See more keywords
Intrinsically smooth discretisation of Connolly's solvent-excluded molecular surface
Sign Up to like & getrecommendations! Published in 2019 at "Molecular Physics"
DOI: 10.1080/00268976.2019.1644384
Abstract: The switching/Gaussia (SWIG) algorithm for intrinsically smooth discretisation of the van der Waals cavity surface, for use in implicit solvation modelling, is extended here to the case of the solvent-excluded surface (SES), also known as… read more here.
Keywords: intrinsically smooth; discretisation; surface; smooth discretisation ... See more keywords
Molecular Surface Maps
Sign Up to like & getrecommendations! Published in 2017 at "IEEE Transactions on Visualization and Computer Graphics"
DOI: 10.1109/tvcg.2016.2598824
Abstract: We present Molecular Surface Maps, a novel, view-independent, and concise representation for molecular surfaces. It transfers the well-known world map metaphor to molecular visualization. Our application maps the complex molecular surface to a simple 2D… read more here.
Keywords: surface; time; surface maps; molecular surface ... See more keywords
A novel computational strategy for defining the minimal protein molecular surface representation
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DOI: 10.1371/journal.pone.0266004
Abstract: Most proteins perform their biological function by interacting with one or more molecular partners. In this respect, characterizing local features of the molecular surface, that can potentially be involved in the interaction with other molecules,… read more here.
Keywords: surface; novel computational; strategy defining; molecular surface ... See more keywords
QSPR Correlation of Physico-chemical Descriptors with the Molecular Surface Area and Rf of Ten Polyphenolic Compounds, Separated from Vegetal Extracts by TLC
Sign Up to like & getrecommendations! Published in 2017 at "Revista De Chimie"
DOI: 10.37358/rc.17.8.5763
Abstract: Polyphenols are important constituents of plants, being demonstrated that long term consumption of them have potential health benefits as antioxidant. In the experimental part of the study we separated ten polyphenolic compounds by thin layer… read more here.
Keywords: surface area; polyphenolic compounds; chemical descriptors; ten polyphenolic ... See more keywords