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Local elevation

Local elevation is a technique used in computational chemistry or physics, mainly in the field of molecular simulation (including molecular dynamics (MD) and Monte Carlo (MC) simulations). It was developed in 1994 by Huber, Torda and van Gunsteren to enhance the searching of conformational space in molecular dynamics simulations and is available in the…

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Local elevation

Nodes18
Edges17
Triples8
Avg. degree1.89
Density0.111111
Components1

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Local elevation

Top relations

has application · 5
Local elevation → Engkvist, In, It, Karlström, The
is a · 1
Local elevation → technique used in computational chemistry or physics

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Important terminology

local elevation method energy molecular potential simulation conformational dynamics simulations technique basic function displaystyle mathbf surface bias free add including

Entity relationships Subject–Predicate–Object triples

SubjectPredicateObjectConfidenceSrc
Local elevationis atechnique used in computational chemistry or physics0.90text
to penalize this configurationinstance ofrepulsive potential energy function to the current configuration of the molecule0.80text
increase the likelihood of discovering other configurationsinstance ofrepulsive potential energy function to the current configuration of the molecule0.80text
Local elevationhas applicationThe0.60section
Local elevationhas applicationIn0.60section
Local elevationhas applicationIt0.60section
Local elevationhas applicationEngkvist0.60section
Local elevationhas applicationKarlström0.60section

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    Min side: 3
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