[PDF] Top 20 A novel hybrid ultrafast shape descriptor method for use in virtual screening
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A novel hybrid ultrafast shape descriptor method for use in virtual screening
... molecular shape is not only a very challenging task, it is also time ...recent shape descriptor proposed by Ballester and Richards [20] called Ultrafast Shape Recognition (USR) has been ... See full document
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Structure based virtual screening for identification of novel inhibitors against bace1 from selective medicinal plant compounds
... High-Throughput Virtual Screening (HTVS) is a computational technique to find potent small molecules against protein targets of ...(ii) Screening enrichment, which is a measurement of correlation ... See full document
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<p>Virtual Screening and Optimization of Novel mTOR Inhibitors for Radiosensitization of Hepatocellular Carcinoma</p>
... that use of selective mTOR inhibitors alone has a limited inhibitory effect on tumors because of the compensatory effect of certain pathways, especially in the treatment of ... See full document
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Computer aided virtual screening and selection of novel phytoligands against shigellosis
... concluded that computer aided method is an effective approach for screening of better remedies when current drugs seems to have failed. The approach is mainly target the key protein responsible for the ... See full document
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Identification of Potent Inhibitors against Potential Drug Target for Schizophrenia Trough Virtual Screening Approach Hifza Saleem*, Sadaf Munir*, Ammara Mumtaz*, Dr.Roshan Ali**, Dr. Ayesha Maqbool, Danish Malik, Muhammad Abubakar Sideeq, Fatima Shamas
... obligatory protein is called the root mean square distance. Secondary structure prediction helps in identifying secondary structural elements i.e. α-helices, β-sheets coils. Analysis of binding site can be made through ... See full document
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An enhancement of bayesian inference network for ligand-based virtual screening using features selection
... companies use combinatorial chemistry approaches to create large and diverse libraries of structures, therefore large array of compounds are formed by combining sets of different types of reagents, called building ... See full document
6
An activity prediction model using shape-based descriptor method
... molecular descriptor, Language for Writing Descriptors of Outline Shape of Molecules (LWDOSM) and shape based molecular descriptor (SBDM), that have been inspired by researchers in information ... See full document
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Virtual screening and experimental validation of novel histone deacetylase inhibitors
... promising novel targets for the treatment of cancer, diabetes and other human ...and virtual screening have been applied in the development of new HDAC ...with novel structures were identified ... See full document
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Green Chemistry Approaches Towards Synthesis of Various Non-Steroidal Anti - Inflammatory Drugs (Nsaids) Particularly Derivatives of Propanoic Acid, Ethanoic Acid and Fenamic Acid (A Review Article)
... approaches. Virtual screening is used to discover new drug candidates from different chemical scaffolds by searching commercial, public, or private 3- dimensional chemical structure ... See full document
7
Homology modeling, molecular dynamics, and virtual screening of NorA efflux pump inhibitors of <em>Staphylococcus aureus</em>
... NorA pump consists of 12 TM helices and a large bind- ing pocket between N- and C-terminal interfaces accom- modates numerous drug compounds. Docking simulation studies of NorA substrates reveal that vital residues, ... See full document
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Combining structure-based pharmacophore modeling, virtual screening, and in silico ADMET analysis to discover novel tetrahydro-quinoline based pyruvate kinase isozyme M2 activators with antitumor activity
... a hybrid protocol of virtual screening methods comprised of pharmacophore model-based virtual screening, docking-based virtual screening, and in silico ADMET (absorption, ... See full document
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Shape descriptors and statistical classification on areal topography data for tile inspection in tessellated surfaces
... the descriptor is showing a higher discriminative power for some defect types: for example, it is capable of recognising multiple levels for the raised-basin (rb) condition (that is, it distinguishes between tiles ... See full document
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A Survey on Feature Based Image Retrieval Using Classification and Relevance Feedback Techniques
... ABSTRACT: Now a day, digital world increase with bandwidth, handheld devices, storage technologies and social networking sites and huge volume of images are stored on web. With significantly huge image database it is ... See full document
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Image Retrieval Using the Centroid Based Shape Descriptor
... This method is to overcome the method 1 because in method 1 we are just considering the 180 values or degrees in first half circle where most of the pixels computation are lost which will effect in ... See full document
6
Virtual Circuit-Switched Sheme for On-Chip Networks
... with virtual point-to-point connections (VIP)is the existing, the proposed hybrid scheme can reduce the latency along with the ...A novel switching mechanism, called virtual circuit switching, ... See full document
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An Efficient Image Retrieval Technique using Shape Context Feature
... The experimental results for dataset of color images in detail are shown in table 1. The comparison is made with the shape context and proposed work. It is also shown in Figure 10 the comparison is shown ... See full document
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Structure-based virtual screening and characterization of a novel IL-6 antagonistic compound from synthetic compound database
... Notes: (A) Key residues of hIL-6 identified by hIL-6R. Red lines denote hIL-6R, green balls denote key residues in loop AB of hIL-6 and red balls denote key residues in hIL-6 within the distance of 0.4 nm. (B) The ... See full document
10
Hybrid Ultrasound Tomography Scanner-a Novel Instrument Designed to Examine Breast as a Breast Cancer Screening Method
... a hybrid ultrasound tomography scanner was constructed as a novel non-invasive breast cancer screening ...estimated hybrid ultrasound tomography scanner sensitivity was 74%, and specificity ... See full document
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Shape determination of unidimensional objects: the virtual image correlation method
... proposed method, named Virtual Image Correlation, allows one to iden- tify an analytical expression of the shape of a curvilinear object from its ...a virtual beam, whose curvature field is ... See full document
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Image Retrieval Using the Centroid Based Shape Descriptor
... The proposed centroid based shape descriptor computes distances for A line using Bresenham algorithm drawn between two opposite pixels on circle forms the bases of computation. Distances between all the ... See full document
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