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Jeffrey Mandell

dblp:86/5327 · DBLP profile ↗
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1ranked-venue papers
0as first author
0since 2021 · last 1995
—ORCID · none

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

Systems, architecture and hardware · 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.

Computer architecture, parallel and distributed computing, and storage systems
1 paper
Parallel and multicore computing · 56% High-performance computing · 44%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

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

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology
molecular interaction
0.011995
Surveying Molecular Interactions with DOT · SC 1995
Bioinformatics and computational biology › protein analysis
protein-protein interaction
0.011995
Surveying Molecular Interactions with DOT · SC 1995
High-performance computing › scientific computing systems
molecular dynamics simulation
0.011995
Surveying Molecular Interactions with DOT · SC 1995
Parallel and multicore computing
parallel computing
0.011995
Surveying Molecular Interactions with DOT · SC 1995
Parallel and multicore computing › parallelizing compiler
vectorization and parallelization
0.011995
Surveying Molecular Interactions with DOT · SC 1995

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

electrostatic potential energy computation · 0.0convolution · 0.0
YearPublicationVenuePosition
1995 Surveying Molecular Interactions with DOT
abstract
The purpose of the molecular interaction program DOT (Daughter of Turnip) is rapid computation of the electrostatic potential energy between two proteins or other charged molecules. DOT exhaustively tests all six degrees of freedom, rotational and translational, and produces a grid of approximate interaction energies and orientations. It is able to do this because the problem is cast as the convolution of the potential field of the first molecule and any rotated charge distribution of the second. The algorithm lends itself to both parallelization and vectorization, permitting huge increases in computational speed over other methods for obtaining the same information. For example, a complete mapping of interactions between plastocyanin and cytochrome c was done in eight minutes using 256 nodes of an Intel Paragon. DOT is expected to be particularly useful as a rapid screen to find configurations for more detailed study using exact energy models.
Lynn F. Ten Eyck, Jeffrey Mandell, Victoria A. Roberts, Michael E. Pique
SC2