BRUTUS:  Optimization of a Grid-Based Similarity Function for Rigid-Body Molecular Superposition. 1. Alignment and Virtual Screening Applications

Anu J. Tervo; Toni Rönkkö; Tommi H. Nyrönen; Antti Poso

doi:10.1021/jm049123a

BRUTUS: Optimization of a Grid-Based Similarity Function for Rigid-Body Molecular Superposition. 1. Alignment and Virtual Screening Applications

Journal of Medicinal Chemistry ◽

10.1021/jm049123a ◽

2005 ◽

Vol 48 (12) ◽

pp. 4076-4086 ◽

Cited By ~ 27

Author(s):

Anu J. Tervo ◽

Toni Rönkkö ◽

Tommi H. Nyrönen ◽

Antti Poso

Keyword(s):

Virtual Screening ◽

Rigid Body ◽

Similarity Function ◽

Molecular Superposition ◽

Grid Based

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BRUTUS: Optimization of a grid-based similarity function for rigid-body molecular superposition. II. Description and characterization

Journal of Computer-Aided Molecular Design ◽

10.1007/s10822-006-9052-4 ◽

2006 ◽

Vol 20 (4) ◽

pp. 227-236 ◽

Cited By ~ 18

Author(s):

Toni Rönkkö ◽

Anu J. Tervo ◽

Jussi Parkkinen ◽

Antti Poso

Keyword(s):

Rigid Body ◽

Similarity Function ◽

Molecular Superposition ◽

Grid Based

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Grid-Based Topology Optimization of Rigid Body Mechanisms

Advanced Design of Mechanical Systems: From Analysis to Optimization - CISM International Centre for Mechanical Sciences ◽

10.1007/978-3-211-99461-0_15 ◽

2009 ◽

pp. 303-315 ◽

Cited By ~ 1

Author(s):

Peter Eberhard ◽

Kai Sedlaczek

Keyword(s):

Topology Optimization ◽

Rigid Body ◽

Grid Based

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GREE-VS: A Grid-based Remote Execution Environment System for Virtual Screening

2009 Second International Conference on Computer and Electrical Engineering ◽

10.1109/iccee.2009.50 ◽

2009 ◽

Author(s):

Minghe Piao ◽

Sang Boem Lim ◽

Jong Hyun Lee

Keyword(s):

Virtual Screening ◽

Remote Execution ◽

Execution Environment ◽

Grid Based

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Grid-Based Topology Optimization of Rigid Body Mechanisms Using Different Problem Formulations

III European Conference on Computational Mechanics ◽

10.1007/1-4020-5370-3_642 ◽

2008 ◽

pp. 642-642

Author(s):

Kai Sedlaczek ◽

Peter Eberhard

Keyword(s):

Topology Optimization ◽

Rigid Body ◽

Problem Formulations ◽

Grid Based

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Fast Grid-Based Scan Statistic for Detection of Significant Spatial Disease Clusters

PsycEXTRA Dataset ◽

10.1037/e307182005-065 ◽

2004 ◽

Cited By ~ 7

Author(s):

Daniel B. Neill ◽

A. Moore

Keyword(s):

Scan Statistic ◽

Disease Clusters ◽

Grid Based

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Search for cannabinoid receptor 1 antagonists using structure-based virtual screening: identification of natural product hits

Planta Medica ◽

10.1055/s-0034-1382589 ◽

2014 ◽

Vol 80 (10) ◽

Cited By ~ 2

Author(s):

P Pandey ◽

KK Roy ◽

H Liu ◽

KM Elokely ◽

S Pettaway ◽

...

Keyword(s):

Virtual Screening ◽

Natural Product ◽

Cannabinoid Receptor ◽

Cannabinoid Receptor 1

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Variability Analysis of Climate Extreme Index using Downscaled Multi-models and Grid-based CMIP5 Climate Change Scenario Data

Journal of Climate Change Research ◽

10.15531/ksccr.2020.11.2.123 ◽

2020 ◽

Vol 11 (2) ◽

pp. 123-132

Author(s):

Jae-Pil Cho ◽

Jae-Uk Kim ◽

Soon-Kun Choi ◽

Sye-Woon Hwang ◽

Hui-Cheul Jung

Keyword(s):

Climate Change ◽

Climate Change Scenario ◽

Extreme Index ◽

Change Scenario ◽

Climate Extreme ◽

Variability Analysis ◽

Grid Based

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Algorithms of Asymptotic, Terminal and Adaptive Stabilization of Rotary Motions of a Rigid Body

Journal of Automation and Information Sciences ◽

10.1615/jautomatinfscien.v35.i1.10 ◽

2003 ◽

Vol 35 (1) ◽

pp. 1-9 ◽

Cited By ~ 2

Author(s):

Nikolay F. Kirichenko ◽

Vladimir T. Matvienko

Keyword(s):

Rigid Body ◽

Adaptive Stabilization

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Hamiltonian Dynamics of the Symmetric Top in External Axially-Symmetric Fields. Magnetic Retention of a Rigid Body

Journal of Automation and Information Sciences ◽

10.1615/jautomatinfscien.v50.i7.50 ◽

2018 ◽

Vol 50 (7) ◽

pp. 48-69

Author(s):

Stanislav S. Zub

Keyword(s):

Rigid Body ◽

Hamiltonian Dynamics ◽

Axially Symmetric ◽

Magnetic Retention

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Synthesis of Time Optimal Spatial Slewing of Spacecraft Using Dynamic Equation of Rigid Body Rotational Motion at Rodrigues-Hamilton Parameters

Journal of Automation and Information Sciences ◽

10.1615/jautomatinfscien.v49.i6.10 ◽

2017 ◽

Vol 49 (6) ◽

pp. 1-21

Author(s):

Nikolay V. Yefimenko

Keyword(s):

Rigid Body ◽

Rotational Motion ◽

Dynamic Equation ◽

Time Optimal

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