pharmacophore molecular modeling and mo calculations
Predicting Chemical Toxicity and Fate - Section 4 pdf
... substituent, and molecular parameters The most transparent of these are the molecular- based empirical and quantum chemical descriptors Empirical descriptors are measured descriptors and include ... unoccupied molecular orbital and the eigenvalue (energy) of the j-th unoccupied molecular orbital, multiplied by two The calculations were performed using the Austin Model (AM1) method implemented in MOPAC ... raloxifene, 4-OH-tamoxifen, and DES — in the ER-bound conformations Then, all possible molecular features, as well as molecular shape, were delineated from those templates and combined to form pharmacophore...
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báo cáo hóa học: "Introducing a feedback training system for guided home rehabilitation" potx
... to the wished movement A common rehabilitation movement is the slow and steady stretching and releasing of the gymnastic band with predefined maximum and number of repetitions The movement is designed ... harmonic way, since every day movements are usually harmonic and reproduced movements tend to have a bias toward harmonic movements [53,44] Each repetition lasts usually about 4-6 seconds and ... task changes the smoothness and steadiness of movements compared to free movements It allows an estimation of how unsteady and turbulent the movement was performed and if these movement characteristics...
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Báo cáo hóa học: " A Robust Parametric Technique for Multipath Channel Estimation in the Uplink of a DS-CDMA System" pot
... the chip sequence, and g(t) the chip pulse Then, the spreading waveform pk (t) is given by (3) where ak,p and τk,p are the gain and the delay of the pth path, respectively, and δ(·) is the Dirac ... Cn×n and let rA be the mean ratio of its off-diagonal and diagonal elements.3 If this matrix is pre/post multiplied by a unitary matrix Q ∈ Cn×m and m n, then the resulting matrix B = QH AQ (and ... dB, and M = and thus perfect knowledge of the MAI covariance matrix In a more realistic scenario, the BS may not have all this information, either because of Doppler fading, or because one or more...
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báo cáo khoa học: "A 48 SNP set for grapevine cultivar identification" pdf
... Cabezas JA, De Andres MT, Bravo G, Ibáñez A, Carreño J, Cabello F, Ibáñez J, Martínez-Zapater JM: Molecular genetics of berry colour variation in table grape Molecular Genetics and Genomics 2006, ... (segregation types aaxab and abxaa) and 29 common markers (abxab) The integrated map developed for the eight parental cultivars included 168 microsatellites and 202 SNP (85% of the polymorphic SNP) allowing ... regarding their use (wine, table, and raisin), berry colour (black, red and white), maturity time (early, medium and late), presence of seeds (seeded and seedless) and other traits [24] In addition...
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A robust routing protocol for wireless mobile ad hoc networks
... On-demand and table-driven schemes are analysed and compared with each other Our study shows that on-demand protocols in general achieve better and more stable performance especially at high mobility ... of Mobile Nodes 50 Movement Area 1500 m × 300 m Flat Rectangular Total Simulated Time 900 s Movement Model Random Way-point Mobile Node Pause Time 0, 30, 60, 120, 300, 600, 900 s Maximum Mobile ... mobile nodes moving about and communicating with each other in a 1500m × 300m rectangular flat area for 900 seconds of simulated time Mobile nodes in the simulations move according to the “random...
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A robust music estimator for polynomial phase signals in alpha stable noise
... and G B Giannakis, “Product high-order ambiguity function for multicomponent polynomial-phase signal modeling, ” IEEE Trans on Signal Processing, vol 46, pp 691–708, March 1998 [2] M Benidir and ... the Capon estimator have the same performance in terms of resolution and estimation of the instantaneous frequency of mono and multicomponent signals However, the Capon estimator can have a better ... 1.2 and γ = 250 SIMULATION RESULTS 200 In this section, we will demonstrate the performance gains when using fractional lower order statistics In our simulations, we used signals of order M = and...
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Tài liệu Training document for the company-wide automation solution Totally Integrated Automation (T I A) doc
... 3.1.4 3.1.5 3.1.6 3.1.7 Module A1 Module A2 Module A3 Module A4 Module A5 Module A6 Module A7 – Totally Integrated Automation (T I A) – Installation of STEP V5.x / Handling of the authorization ... Debug- and online- Functions 10 11 12 13 14 3.2 B: Additional Functions of STEP 7- Programming 15 3.2.1 3.2.2 3.2.3 3.2.4 3.2.5 3.2.6 Module B1 Module B2 Module B3 Module B4 Module B5 Module ... Communication with S7 1- days E modules Process Visualization (2 -3 days) Module F1 Module F2 Module F3 OP7 and ProTool TP170A and ProTool ProTool/Pro Runtime Module F4 WinCC T I A Training document...
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Swimming Pool Pest Management: A Training Manual for Commercial Pesticide Applicators and Swimming Pool Operators Category 5A pptx
... demand and to disinfect the water The filter equipment and filtration process helps reduce the amount of foreign substances suspended in the water and thereby reduces the water’s chlorine demand ... cloudy and debris remains in the water Sand filter system Recirculation and Filtration Systems 50 High Rate Sand Filter In high rate sand filters, to be effective, the filter needs a specific sand ... usually 12 inches or more and must exist for the sand to “tumble and fluff-up,” causing the debris to loosen for backwash removal On the outlet (effluent) pipe, a pressure gauge is mounted This gauge...
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Báo cáo khoa học: "A Robust System for Natural Spoken Dialogue " ppt
... clarification and correction subdialogues The Duke system (Smith and Hipp, 1994) uses a more general model based on a reasoning system, but allows only a limited vocabulary and grammar and requires ... intermediate city, and when it can generate a route, it randomly selects among the possibilities Typically, the examples in papers on dialogue systems are carefully hand-constructed and designed to ... are adding distances and travel times between cities, several new modes of transportation (trucks and planes) with associated costs, and simple cargoes to be transported and possibly transferred...
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NUPOS: A part of speech tag set for written English from Chaucer to the present ppt
... suffixes -er and -est for short adjectives and with the periphrastic forms ‘more’ and ‘most’ for long adjectives I have classified ‘more’, ‘most’, ‘less’, ‘least’ as comparative and superlatives ... between ‘will’ and "won’t", ‘none’ and ‘one’, or ‘ever’ and ‘never’ I have done something similar and perhaps more radical with ‘un-words’ Do ‘unforgiving’ and ‘unforgiven’ share a common lemma? ... probably not uncommon in archaizing Early Modern English NUPOS treats all forms of ‘may’, ‘will’, ‘shall’, ‘can’ and ‘ought’ as if they were modern modals, but it does recognize modal forms that...
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Báo cáo khoa học: "A Discriminative Global Training Algorithm for Statistical MT" potx
... restrictions are tested, i.e monotone decoding (MON), and local block re-ordering where neighbor blocks can be swapped (SWAP) The SWAP re-ordering uses the same features as the monotone models plus additional ... functions and alternative set generation The word-based models perform surprisingly well, i.e the model in line uses only three feature types: model features like in Section 2, distortion features, and ... of training iterations: the initial model is trained in a few minutes, while training the model after the -th iteration takes up to hours for the most complex models Table presents experimental...
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Báo cáo sinh học: "Enabling a robust scalable manufacturing process for therapeutic exosomes through oncogenic " ppt
... transformation and was consistent and reproducible The significant reduction of infarct size by exosome treatment and the well established correlation between infarct size and subsequent adverse remodeling ... treatment modality Unlike cells, exosomes not elicit acute immune rejection and being non-viable and much smaller, they pose less safety risks such as the formation of tumor or embolism Furthermore ... MSCs at p4, p7, and p8, and from the parental HuES9-E1 MSCs at p15 and p16 The gene expression profile (Accession number: GSE25296) among different passages of E1MYC 16.3 MSCs or among different...
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Báo cáo hóa học: " Influence of the training set on the accuracy of surface EMG classification in dynamic contractions for the control of multifunction prostheses" potx
... algorithm and the amount of data required for training On the other hand, the combination TD+AR/LDA showed a good performance (8.0% ± 3.5% error), and it does not require any optimization Moreover, ... analysis, and drafted the manuscript NJ participated to the design and realization of the study and to the manuscript preparation, DF participated to the design and coordination of the study and to ... algorithm (TD+AR/LDA or WT/SVM-OVO) and the training section (5 training sections) as the factors and the subject considered as a random variable Only the TD+AR/LDA and WT/SVM-OVO were investigated...
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báo cáo hóa học:" Enabling a robust scalable manufacturing process for therapeutic exosomes through oncogenic immortalization of human ESC-derived MSCs" doc
... transformation and was consistent and reproducible The significant reduction of infarct size by exosome treatment and the well established correlation between infarct size and subsequent adverse remodeling ... treatment modality Unlike cells, exosomes not elicit acute immune rejection and being non-viable and much smaller, they pose less safety risks such as the formation of tumor or embolism Furthermore ... MSCs at p4, p7, and p8, and from the parental HuES9-E1 MSCs at p15 and p16 The gene expression profile (Accession number: GSE25296) among different passages of E1MYC 16.3 MSCs or among different...
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Báo cáo hóa học: " Research Article The Over-Relaxed A-Proximal Point Algorithm for General Nonlinear Mixed Set-Valued Inclusion Framework" docx
... constant Remark 2.3 The A, η -accretive mappings are more general than H, η -monotone mappings and m-accretive mappings in Banach space or Hilbert space, and the resolvent operators associated with A, ... inequalities in q-uniformly smooth Banach spaces, Xu 14 proved the following result Lemma 2.5 Let X be a real uniformly smooth Banach space Then X is q-uniformly smooth if and only if there exists ... algorithm 16, 17 and the over-relaxed A-proximal point algorithm Theorem 3.7 Let X be a q-uniformly smooth Banach space Let A, F : X → X and η : X × X → X be single-valued mappings, and let M : X...
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Báo cáo hóa học: "Research Article Optimizing Training Set Construction for Video Semantic Classification" pdf
... dataset; and the optimization rules for these metrics are further proposed based on these metrics Experimental results demonstrate that these rules are effective, and obviously outperform random ... Divakaran, and H Sun, “Structure analysis of soccer video with domain knowledge and hidden markov models,” Pattern Recognition Letters, vol 25, no 7, pp 767–775, 2004 [2] J Fan, H Luo, and X Lin, ... collection, and propose the following four metrics for the training set construction, including salience, temporal dispersiveness, spatial dispersiveness, and diversity First, as the candidates...
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Báo cáo hóa học: " Research Article StereoBox: A Robust and Efficient Solution for Automotive Short-Range Obstacle Detection Alberto Broggi, Paolo Medici, and Pier Paolo Porta" potx
... approximately 10% of all accidents between trucks and unprotected road users and about 20% of all fatal accidents between trucks and unprotected road users The most effective single measure would be to ... main steps: (i) lens distortion and perspective removal from both stereo images, (ii) obstacle detection Concerning the first step, the problems of distortion removal and inverse perspective mapping ... intrinsic and extrinsic parameters of cameras Alberto Broggi et al Right image Left image − Distorsion removal & IPM Filtered threshold Distorsion removal & IPM (a) (b) Labeling Figure 5: Original and...
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Báo cáo hóa học: " Research Article A Robust Zero-Watermarking Algorithm for Audio" ppt
... such as random cropping and time-scale modification; on combining the proposed scheme with the available low-bit-rate audio coding standards to make it more fit for practical applications; and on ... Simulation results demonstrate the effectiveness of our algorithm in terms of inaudibility, detection reliability, and robustness against both common audio signal processing manipulations and malicious ... zero-watermarking algorithm based on DWT and chaotic modulation,” in Independent Component Analyses, vol 6247 of Proceedings of SPIE, pp 1–9, Orlando, Fla, USA, 2006 L Jing and F Liu, “Double zero-watermarks...
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Báo cáo hóa học: " Research Article Optimizing Training Set Construction for Video Semantic Classification" pot
... dataset; and the optimization rules for these metrics are further proposed based on these metrics Experimental results demonstrate that these rules are effective, and obviously outperform random ... Divakaran, and H Sun, “Structure analysis of soccer video with domain knowledge and hidden markov models,” Pattern Recognition Letters, vol 25, no 7, pp 767–775, 2004 [2] J Fan, H Luo, and X Lin, ... collection, and propose the following four metrics for the training set construction, including salience, temporal dispersiveness, spatial dispersiveness, and diversity First, as the candidates...
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Báo cáo hóa học: " Research Article A Robust Structural PGN Model for Control of Cell-Cycle Progression Stabilized by Negative Feedbacks" pdf
... DNA synthesis and chromosome replication), G2 (bridging “gap” between S and M), and M (period of chromosomes separation and cell division) [1, 2] The cell-cycle basic organization and control system ... cell-cycle model and present the simulation, in the presence of noise, of our PGN version of it Sections and describe the architecture and dynamics of our model for control of cell-cycle progression and ... of noise and random delays in the regulatory signals (the same noise pattern was applied to both our model and Li’s yeastmodel) Section shows the inclusion of positive feedback in our model to...
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