Enhancing molecular shape comparison by weighted Gaussian functions.
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Predicting mTOR inhibitors with a classifier using recursive partitioning and Naïve Bayesian approachesIdentification of an Allosteric Binding Site on Human Lysosomal Alpha-Galactosidase Opens the Way to New Pharmacological Chaperones for Fabry DiseaseApplication of the 4D fingerprint method with a robust scoring function for scaffold-hopping and drug repurposing strategies.Novel mycosin protease MycP₁ inhibitors identified by virtual screening and 4D fingerprintsgWEGA: GPU-accelerated WEGA for molecular superposition and shape comparison.Graph theoretical representation of atomic asymmetry and molecular chirality of benzenoids in two-dimensional space.Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME.Efficient gaussian density formulation of volume and surface areas of macromolecules on graphical processing units.In silico profiling for secondary metabolites from Lepidium meyenii (maca) by the pharmacophore and ligand-shape-based joint approach.Antiviral activity of (+)-rutamarin against Kaposi's sarcoma-associated herpesvirus by inhibition of the catalytic activity of human topoisomerase II.In silico polypharmacology of natural products.3D Chemical Similarity Networks for Structure-Based Target Prediction and Scaffold Hopping.Predicting dual-targeting anti-influenza agents using multi-models.PTS: a pharmaceutical target seeker.Quantitative and Systems Pharmacology. 1. In Silico Prediction of Drug-Target Interactions of Natural Products Enables New Targeted Cancer Therapy.HybridSim-VS: a web server for large-scale ligand-based virtual screening using hybrid similarity recognition techniques.The Mechanisms of Bushen-Yizhi Formula as a Therapeutic Agent against Alzheimer's Disease.Reverse Screening Methods to Search for the Protein Targets of Chemopreventive Compounds.In silico approach in reveal traditional medicine plants pharmacological material basis.Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery
P2860
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P2860
Enhancing molecular shape comparison by weighted Gaussian functions.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年学术文章
@wuu
2013年学术文章
@zh
2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
@zh-sg
2013年學術文章
@yue
2013年學術文章
@zh-hant
name
Enhancing molecular shape comparison by weighted Gaussian functions.
@en
Enhancing molecular shape comparison by weighted Gaussian functions.
@nl
type
label
Enhancing molecular shape comparison by weighted Gaussian functions.
@en
Enhancing molecular shape comparison by weighted Gaussian functions.
@nl
prefLabel
Enhancing molecular shape comparison by weighted Gaussian functions.
@en
Enhancing molecular shape comparison by weighted Gaussian functions.
@nl
P2093
P356
P1476
Enhancing molecular shape comparison by weighted Gaussian functions.
@en
P2093
P304
P356
10.1021/CI300601Q
P577
2013-07-25T00:00:00Z