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Andrea Spitaleri

dblp:150/3418 · DBLP profile ↗
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1ranked-venue papers
0as first author
0since 2021 · last 2019
0000-0003-3012-3557ORCID · reported

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 1

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 91% Computational science and engineering · 9%

Topics — the 4 heaviest of 5, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › structural bioinformatics › molecular structure analysis
molecular surface computation
0.412019
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems · Bioinform. 2019
Bioinformatics and computational biology › molecular informatics
molecular visualization
0.412019
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems · Bioinform. 2019
Bioinformatics and computational biology
structural bioinformatics
0.412019
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems · Bioinform. 2019
Computational science and engineering
computational chemistry
0.112019
NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems · Bioinform. 2019

Methods — techniques the papers use, named apart from their topics

ray casting · 0.4analytical computation · 0.4
YearPublicationVenuePosition
2019 NanoShaper-VMD interface: computing and visualizing surfaces, pockets and channels in molecular systems
abstract
SUMMARY: NanoShaper is a program specifically aiming the construction and analysis of the molecular surface of nanoscopic systems. It uses ray-casting for parallelism and it performs analytical computations whenever possible to maximize robustness and accuracy of the approach. Among the other features, NanoShaper provides volume, surface area, including that of internal cavities, for any considered molecular system. It identifies pockets via a very intuitive definition based on the concept of probe radius, intrinsic to the definition of the solvent excluded surface. We show here that, with a suitable choice of the parameters, the same approach can also permit the visualisation of molecular channels. NanoShaper has now been interfaced with the widely used molecular visualization software VMD, further enriching its already well furnished toolset. AVAILABILITY AND IMPLEMENTATION: VMD is available at http://www.ks.uiuc.edu/Research/vmd/. NanoShaper, its documentation, tutorials and supporting programs are available at http://concept.iit.it/downloads. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
Sergio Decherchi, Andrea Spitaleri, John E. Stone, Walter Rocchia
Bioinform.2