in silico detection drug design and prevention agent evelopment

In silico methodologies for selection and prioritization of compounds in drug discovery

In silico methodologies for selection and prioritization of compounds in drug discovery

Ngày tải lên : 08/09/2015, 22:12
... to extensive in vitro and in vivo testing to determine if it is safe enough for human testing In the next step, the candidate drug enters the development process (clinical trials) in which it ... scoring scheme Dashed lines and circles denote aromatic bonds and atoms respectively Continuous lines and circles denote aliphatic bonds and atoms respectively Curly lines denote any bond type and ... The top 10 fingerprint keys of the AKT1 validation and test sets selected by the scoring scheme Dashed lines and circles denote aromatic bonds and atoms respectively Continuous lines and circles...
  • 185
  • 380
  • 0
Unsteady flow in centrifugal pump at design and off design conditions

Unsteady flow in centrifugal pump at design and off design conditions

Ngày tải lên : 10/09/2015, 08:27
... achieve in practice and distorted inlet flow structure is often encountered because of the unsatisfactory intake section design and inflow condition Predin and Bilus (2003) tested and analyzed the inflow ... variables into and out of the domain through the setting of flux and fixed value conditions at wall boundaries The volute casing and intake section walls are in stationary frame and modelled using ... three-dimensional CFD in pump design and factors need to be considered in interpreting the results A review by Horlock and Denton (2005) suggested that the capabilities of CFD are continually improving and the...
  • 176
  • 336
  • 0
A combined statistical and in silico framework for analysis and characterization of microbial and mammalian metabolic networks

A combined statistical and in silico framework for analysis and characterization of microbial and mammalian metabolic networks

Ngày tải lên : 11/09/2015, 21:27
... current research work It involves developing a frame work for modeling and analyzing microbial and mammalian systems using a combined statistical and in silico approach to gain insights about the effect ... consider, analyze, and ultimately understand the living world, whereas physics and chemistry come handy in probing the behavior of molecules and their activity inside living cells Engineering applications ... analyses, modeling, simulations, and design techniques that are precisely used in electronic, control and system engineering Furthermore a combined effort by science, engineering and mathematics...
  • 220
  • 364
  • 0
pharmacokinetics and metabolism in drug design

pharmacokinetics and metabolism in drug design

Ngày tải lên : 11/04/2014, 10:03
... EF EM Average amount of drug in the body over a dosing interval Maximum amount of drug in the body over a dosing interval Minimum amount of drug in the body over a dosing interval Area under plasma ... evaluation Such measurements and analysis are adequate for understanding a single drug in a single species in a number of different situations since both protein binding and the resultant unbound ... organ is involved in drug clearance Within this equation Cli is the intrinsic clearance based on total drug concentrations and therefore includes drug bound to protein Lipophilic drugs bind to...
  • 155
  • 503
  • 1
Analysis and semi automated detection of design level similarity patterns in software

Analysis and semi automated detection of design level similarity patterns in software

Ngày tải lên : 15/09/2015, 17:09
... calls and inlining the functions Cloning can also help in better program understanding, by keeping the software architectures simple and avoiding complicated abstractions [KG06] Clone detection and ... reordered clones and intertwined clones In a reordered clone, the exact or parameterized matching lines of the code are re-ordered, whereas in an Intertwined clone, these lines are intertwined with ... existing code and the required changes instead of putting in more time and thought in designing a generalized solution Cloning comes naturally: When adding functionality similar to an existing...
  • 199
  • 481
  • 0
Computational study of therapeutic targets and ADME associated proteins and application in drug design

Computational study of therapeutic targets and ADME associated proteins and application in drug design

Ngày tải lên : 15/09/2015, 22:19
... Sequence variation between protein’s drug- binding domain and those of the human proteins in the same family allows differential binding of a “rule-of-five” molecule; (3) Protein preferably has less than ... understanding physiological function of the proteins or peptides coded by those genes, correlating disease states to certain genes and figuring out the potential protein-protein interactions and ... things are called machine learning, whose common tasks include concept learning for prediction, data clustering, and association rule mining In the information age, particularly in biological research...
  • 187
  • 1.1K
  • 0
Computer aided drug design drug target directed in silico approaches

Computer aided drug design drug target directed in silico approaches

Ngày tải lên : 15/09/2015, 22:24
... bioinformatics [119], molecular modeling [120], drug designing and pharmacokinetics analysis [54,56,111] increasingly uses known therapeutic targets and drugs to refine and test algorithms and ... only has bioinformatics played a key role in handling, sorting and storing this genomic information, it is also expected to help with the new challenges ahead in inferring gene and protein functionality ... Computer Aided Drug Design: Drug Target Directed In Silico Approaches IV In silico study of the mechanisms of action of active ingredients from medicinal plants 4.1 Introduction 113 4.2 In silico methods...
  • 208
  • 332
  • 0
Knowledge discovery in biomedical research and drug design the development and application of biological databases

Knowledge discovery in biomedical research and drug design the development and application of biological databases

Ngày tải lên : 17/09/2015, 17:19
... rationalized and focused experiments The interaction between molecules, including protein-protein, proteinnucleic acids and protein-ligand, is normally identified by binding experiments and kinetic ... biomedical research The introduction of data mining in biomedical research in turn enables the development and application of the data mining technology in biopharmaceutical industry (in general, biopharmaceutical ... effects and drug interactions Passing these three clinical trials, the drug candidates are eligible to submit to new drug controlling organisms such as FDA for approval of marketing In the first...
  • 170
  • 1.2K
  • 0
Design and development of major balance of plant components in solid oxide fuel cell system

Design and development of major balance of plant components in solid oxide fuel cell system

Ngày tải lên : 05/09/2013, 16:10
... Energy Research He holds a PhD in environmental engineering, M.S and B.S in chemical engineering His research interests include biomass reforming, hydrogen generation and low level radwaste treatment ... reforming or partialoxidation reforming In the INER SOFC system, the reforming process is performed using a combination of these two methods by feeding both steam and an oxidant (air) into a ... pressure and mass flow rate in the major BOP components so as to identify potential design improvements in the INER SOFC system in the future In practice, optimizing the SOFC system performance using...
  • 12
  • 585
  • 0
The effects of bottom up techniques in teaching listening skills to first year students at the university of fire fighting and prevention

The effects of bottom up techniques in teaching listening skills to first year students at the university of fire fighting and prevention

Ngày tải lên : 07/09/2013, 13:48
... learners gain success in teaching and learning listening skill Classroom listening Class-room listening may be divided into intensive listening and extensive listening Intensive listening Intensive ... students; and - Formulating pedagogical implications and making suggestions for improving the teaching and learning of the listening skills at UFFP Scope of the study In this study, the investigator intended ... This includes talking to learner in the target language, raising learners’ awareness of their listening styles and strategies and introducing a range of materials, speaking styles and listening...
  • 46
  • 1.2K
  • 4
Development of a Regional Risk Management Framework for APEC Economies for use in the Control and Prevention of Introduced Marine Pests

Development of a Regional Risk Management Framework for APEC Economies for use in the Control and Prevention of Introduced Marine Pests

Ngày tải lên : 28/10/2013, 11:15
... Within APEC little is known on the introduction of marine pests  Little practical information on measures to prevent introductions  Lack of knowledge in what individual countries are doing ... Conclusions, including the results of the November 2001 Workshop Management Framework - Introd uced Marine Pests Management capabilities and approaches  APEC and the MRCWG have a role in liaising with ... enhance the effectiveness of existing instruments within APEC  Institutional arrangements for managing the marine environment is fragmented in most economies  Baseline surveys to identify IMP are...
  • 10
  • 583
  • 0
Working with the Fogbow Design and reconfiguration of services and participation in e-Government

Working with the Fogbow Design and reconfiguration of services and participation in e-Government

Ngày tải lên : 04/11/2013, 20:15
... enacted in practice Theories and methodologies from feminist theories, participatory design and informatics, are used in order to develop broader and more complex understandings of ongoing development ... servants understand, interpret and define the role of research when viewed from their own particular needs and perspectives Since I had received instruction and training in web design from some ... technology as infrastructure, an interest in activities and in organization and mission, are new focuses in the new curriculum for informatics’, all included in Dahlbom’s broad definition of information...
  • 182
  • 566
  • 0
A STUDY ON ENGLISH EXPRESSIONS USED IN WEBSITE DESIGN AND VIETNAMESE EQUIVALENCE

A STUDY ON ENGLISH EXPRESSIONS USED IN WEBSITE DESIGN AND VIETNAMESE EQUIVALENCE

Ngày tải lên : 11/12/2013, 23:48
... working on the function language in use and expression in these terms which during the preliminary research, I myself found prominent This causes readers certain difficulties in understanding and ... on: Pointing out the definition of web language, the process of designing web pages, classifying of static and dynamic website languages Collecting and presenting some commonly used WDT in English ... generalpurpose programming language, PHP code is processed by an interpreter application in command-line mode performing desired operating system operations and producing program output on its standard output...
  • 59
  • 524
  • 0
Optimal security design and dynamic capital structure in a countinous time agency model DEMARZO & SANNIKOV

Optimal security design and dynamic capital structure in a countinous time agency model DEMARZO & SANNIKOV

Ngày tải lên : 12/01/2014, 22:16
... over-reporting The agent is risk neutral and discounts his consumption at rate γ The agent maintains a private savings account, from which he consumes and into which he deposits his income The principal ... and Fernando Zapatero, 2003, Dynamic principal -agent problems with perfect information, Working paper, USC Clementi, Gian Luca, and Hugo A Hopenhayn, 2002, A theory of financing constraints and ... 1984, Financial intermediation and delegated monitoring, Review of Economic Studies 51, 393-414 Green, Edward, 1987, Lending and the smoothing of uninsurable income, in Edward Prescott and Neil...
  • 51
  • 561
  • 0
Tài liệu Experiences in Design and Implementation of a High Performance Transport Protocol doc

Tài liệu Experiences in Design and Implementation of a High Performance Transport Protocol doc

Ngày tải lên : 15/01/2014, 15:59
... Outline • • • • • TCP’s inefficiency in grid applications UDT Design issues Implementations issues Conclusion and future work TCP and AIMD • TCP has been very successful in the Internet ... AIMD (Additive Increase Multiplicative Decrease) • Fair: max-min fairness • Stable: globally asynchronously stable • But, inefficient and not scalable – In grid networks (with high bandwidth-delay ... RTT bias Efficiency of TCP Gb/s link, 200ms RTT, between Tokyo and Chicago 28 minutes On 10 Gb/s link, 200ms RTT, it will take hours 43 minutes to recover from a single loss TCP’s throughput model:...
  • 32
  • 580
  • 0
Tài liệu Intrusion Detection and Prevention ppt

Tài liệu Intrusion Detection and Prevention ppt

Ngày tải lên : 26/01/2014, 04:20
... having the dedicated appliance issue TCP resets or use shunning or even allow the firewall to drop the offending traffic Overall, the role of firewalls in intrusion detection is still being defined ... excellent sensor in that it is directly in- line with the traffic flow and has the capability to capture all traffic destined for target hosts located behind the firewall Combined with other IDS ... vendors migrate more and more IDS code into the firewall appliance The Firewall as the IPS With the increased market desire to go beyond simple intrusion detection to intrusion prevention, more vendors...
  • 2
  • 266
  • 0
Tài liệu Design and optimisation of conformal cooling channels in injection muolding tools docx

Tài liệu Design and optimisation of conformal cooling channels in injection muolding tools docx

Ngày tải lên : 12/02/2014, 22:20
... obtain an optimum mould design, especially on sizing and positioning of cooling channels With the same instrument, optimal processing conditions in the cooling operation was found, minimising ... cooling channels and selective laser sintering material in injection moulding tools, RPD (2002) 1–5 [6] F Jacobs, High-conductivity Materials and Conformal Cooling Channels, Warwick Manufacturing ... moulding process The injection moulding industry, like all industries, at present needs to reduce costs to remain competitive This need has been addressed using various technologies ranging from design...
  • 7
  • 728
  • 0
Tài liệu Water pollution in Asia: The urgent need for prevention and monitoring ppt

Tài liệu Water pollution in Asia: The urgent need for prevention and monitoring ppt

Ngày tải lên : 18/02/2014, 04:20
... knowledge and insights from leading water researchers and practitioners The contributions generate accessible and evidence-based insights towards understanding and addressing local, regional, and global ... places quality is continuing to decline subsidies clash with development goals and insufficient efforts are being made to Monitoring is also costly and voluntary monitor and remedy the situation ... Examples include China, India, Thailand, the Philippines, Bangladesh, and Indonesia These and many more have passed water quality acts or laws to prevent pollution and protect receiving waters...
  • 6
  • 474
  • 1
Tài liệu SR-IOV Networking in Xen: Architecture, Design and Implementation doc

Tài liệu SR-IOV Networking in Xen: Architecture, Design and Implementation doc

Ngày tải lên : 19/02/2014, 18:20
... interrupt sharing imposes more challenges in virtualization system for inter guest isolation both in performance and robustness A group of guest sharing interrupt is depending on a set ... handler in the guest is invoked Interrupt latency is one of the primary bottlenecks in a virtualized environment By using streamlined MSI-X interrupt technology with IOMMU interrupt remapping latency ... physical resources and network bandwidth among VFs The PF is designed to manage the sharing and coordinate between VFs MDD in dom0 has the ability to directly access PF run time resources and configuration...
  • 7
  • 446
  • 0
Public Health and Prevention Expenditure in England docx

Public Health and Prevention Expenditure in England docx

Ngày tải lên : 05/03/2014, 10:20
... recommendations made in Health England Report No 1: Definitions and Measures of Preventative Health Spending1, providing an estimate of prevention expenditure in England, and considering some comparisons ... states) and secondary prevention (i.e early stage disease detection and interventions) The latter is further subdivided into screening, other secondary prevention and pharmaceuticals used in prevention ... size in England & Wales38, Scotland39 and Northern Ireland40 and for changes in prices However, since April 2005, PCTs in England have taken over responsibility for the provision of healthcare in...
  • 77
  • 406
  • 0