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Structure-based lead discovery

A novel series of positive modulators of the AMPA receptor : discovery and structure based hit-to-lead studies

A novel series of positive modulators of the AMPA receptor : discovery and structure based hit-to-lead studies

... X-ray crystallographic data on the complex of 16 with the S1S2 LBD revealed the binding mode was as anticipated based on our observations from compound 15 (Figure 3). The propylamine side chain was shown to ...

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Development and application of ligand-based and structure-based computational drug discovery tools based on frequent subgraph mining of chemical structures

Development and application of ligand-based and structure-based computational drug discovery tools based on frequent subgraph mining of chemical structures

... The strength of the descriptors comes from the fact that it can not miss an important chemical fragment in a dataset. Since defining all possible combination of atoms will give an exponentially large number of chemical ...

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Bayesian model based approaches in the analysis of chromatin structure and motif discovery

Bayesian model based approaches in the analysis of chromatin structure and motif discovery

... informative prior may ensure identifiability. But since we want to impose minimal prior effects on inference and accordingly set flat priors, non-identifiability can lead to serious convergence problems in the ...

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Targeted design and identification of AC1NOD4Q to block activity of HOTAIR by abrogating the scaffold interaction with EZH2

Targeted design and identification of AC1NOD4Q to block activity of HOTAIR by abrogating the scaffold interaction with EZH2

... the structure and functional mechanisms of RNA, computer-aided drug design holds great promise in cancer ...of structure- based drug design method lies in its “more wood behind fewer ...say, ...

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Biological Motif Discovery Algorithm based on Mining Tree Structure

Biological Motif Discovery Algorithm based on Mining Tree Structure

... As there are a big growing interest on regulatory element that can lead to understand some virus function, detect new drug, classify spices, or to get many other helpful new knowledge of biology. The researchers ...

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New Science in Plain Sight:Citizen Scientists Lead to Discovery of Optical Structure in the Upper Atmosphere

New Science in Plain Sight:Citizen Scientists Lead to Discovery of Optical Structure in the Upper Atmosphere

... their discovery, SAIDs have been investigated extensively by analysis of observational data (primar- ily from spacecraft and ground-based radar, both statistical and event- based) and numerical ...

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Network characteristics emerging from agent interactions in balanced distributed system

Network characteristics emerging from agent interactions in balanced distributed system

... A distributed computing system behaves like a complex network, the interactions between nodes being essential information exchanges and migrations of jobs or services to execute. These actions are performed by software ...

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Robotic Implementation of Fire Detection System and Web based Communication System

Robotic Implementation of Fire Detection System and Web based Communication System

... measured structure idea is embraced and the framework is mostly made out of a solitary microcontroller, LCD, RF Tx and Rx, RFID, GSM, smoke sensor, thermister, water siphon engine, zigbee, L293d and ...fire ...

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Crystal structure of lead(II) tartrate: a redetermination

Crystal structure of lead(II) tartrate: a redetermination

... The present study confirms in principle the results of the previous powder X-ray diffraction study and reveals the determination of the absolute structure (Flack parameter 0.003 (7); Flack, 1983) and all non-H ...

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View Download

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... Far in the remote western African jungles of Cameroon, Dr. Beatrice Hahn and her team of scientists from the University of Alabama have been examining chimpanzee droppings. Members of the great ape family, chimpanzees ...

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chimpanzee droppings.pdf

chimpanzee droppings.pdf

... Far in the remote western African jungles of Cameroon, Dr. Beatrice Hahn and her team of scientists from the University of Alabama have been examining chimpanzee droppings. Members of the great ape family, chimpanzees ...

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A novel series of positive modulators of the AMPA receptor : structure-based lead optimization

A novel series of positive modulators of the AMPA receptor : structure-based lead optimization

... X-ray structure of 12 in complex with the S1S2 ligand binding domain confirmed the binding mode was as anticipated with the tert-butyl system creating a hydrophobic interaction with the receptor (Figure ...

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Temporal causal discovery and structure learning with attention based convolutional neural networks

Temporal causal discovery and structure learning with attention based convolutional neural networks

... delay discovery results of existing ...causal discovery methods, TCDF can successfully discover the presence of a hidden confounder when the time delays to the confounder’s e↵ects are ...

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Unsupervised Discovery of Biographical Structure from Text

Unsupervised Discovery of Biographical Structure from Text

... information contained in Wikipedia biographies (or its derivatives, such as Freebase; Google, 2014) as a form of supervision (e.g., George Washington is a member of the categories Presidents of the United States and ...

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Sarvani V*, Elisha Raju P, Sreekanth Nama, Leela Madhuri Pola, Chandu Babu Rao

Sarvani V*, Elisha Raju P, Sreekanth Nama, Leela Madhuri Pola, Chandu Babu Rao

... drug discovery process molecular weight determination for combinational/medicinal chemistry support LC-MS is used for analysis of lead ...In lead identification step the natural products de ...

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Exact Bayesian Structure Discovery in Bayesian Networks

Exact Bayesian Structure Discovery in Bayesian Networks

... for structure learning have been presented for very restricted classes of Bayesian networks ...network structure when the data size approaches infinity—but the time requirement can be ...

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Structure discovery in mixed order hyper networks

Structure discovery in mixed order hyper networks

... parents. Structure discovery in a BNN involves finding a pattern of connectivity that accurately represents the joint distribution across the variables while keeping the complexity of the model ...BNN ...

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Design and Implementation of E-Discovery as a Service based on Cloud Computing

Design and Implementation of E-Discovery as a Service based on Cloud Computing

... Service Structure based on Cloud Computing called EDaaS(E-Discovery as a Service) in order to make the best use of its advantages and overcome the limitations of the existing E-Discovery ...

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Credit Default Swaps - Essays on Model and Market Efficiency

Credit Default Swaps - Essays on Model and Market Efficiency

... However, the high demand for structured solutions in the field of credit risk management led to the introduction of credit risk instruments like CDS, developed on the basis of complex statistical models. According to ...

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Building an Interruption Discovery Structure by a Filter-Based Articlemixturesystem

Building an Interruption Discovery Structure by a Filter-Based Articlemixturesystem

... basically based decide that scientifically chooses the ideal element for ...fundamentally based element decision control will deal with directly and nonlinearly subordinate information ...essentially ...

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