Toward high throughput 3D virtual screening using spherical harmonic surface representations.

Toward high throughput 3D virtual screening using spherical harmonic surface representations.

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http://www.wikidata.org/entity/Q51906445
Three-dimensional compound comparison methods and their application in drug discoveryMolecular mechanism of SCARB2-mediated attachment and uncoating of EV71Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprintsSpherical harmonics coefficients for ligand-based virtual screening of cyclooxygenase inhibitorsApplication of the 4D fingerprint method with a robust scoring function for scaffold-hopping and drug repurposing strategies.Internal Dynamics of a Coarse-Grained Protein Using Analytical Harmonic Representation.Novel mycosin protease MycP₁ inhibitors identified by virtual screening and 4D fingerprintsA chemo-centric view of human health and diseasegWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.Graph-based similarity concepts in virtual screening.DeCAF-Discrimination, Comparison, Alignment Tool for 2D PHarmacophores.4D Flexible Atom-Pairs: An efficient probabilistic conformational space comparison for ligand-based virtual screening.Quantile regression model for a diverse set of chemicals: application to acute toxicity for green algae.Methods for Virtual Screening of GPCR Targets: Approaches and Challenges.A novel, customizable and optimizable parameter method using spherical harmonics for molecular shape similarity comparisons.Advances in the Development of Shape Similarity Methods and Their Application in Drug DiscoveryShape-based similarity searching in chemical databases
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Toward high throughput 3D virtual screening using spherical harmonic surface representations.

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http://www.wikidata.org/entity/Q51906445
description
2007 nî lūn-bûn
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2007年の論文
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
@zh-hans
2007年学术文章
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2007年学术文章
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2007年學術文章
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2007年學術文章
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name
Toward high throughput 3D virt ...... monic surface representations.
@en
Toward high throughput 3D virt ...... monic surface representations.
@nl
type
label
Toward high throughput 3D virt ...... monic surface representations.
@en
Toward high throughput 3D virt ...... monic surface representations.
@nl
prefLabel
Toward high throughput 3D virt ...... monic surface representations.
@en
Toward high throughput 3D virt ...... monic surface representations.
@nl
P1433
P1476
P2093
P304
P31
P356
P433
P478
P50
P577
P698
P356
P1433
P1476
Toward high throughput 3D virt ...... monic surface representations.
@en
P2093
P304
P31
P356
P433
P478
P50
P577
P698