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Physical Sciences and Mathematics Commons™
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Full-Text Articles in Physical Sciences and Mathematics
Probing Conformational Landscapes And Mechanisms Of Allosteric Communication In The Functional States Of The Abl Kinase Domain Using Multiscale Simulations And Network-Based Mutational Profiling Of Allosteric Residue Potentials, Keerthi Krishnan, Hao Tian, Peng Tao, Gennady M. Verkhivker
Probing Conformational Landscapes And Mechanisms Of Allosteric Communication In The Functional States Of The Abl Kinase Domain Using Multiscale Simulations And Network-Based Mutational Profiling Of Allosteric Residue Potentials, Keerthi Krishnan, Hao Tian, Peng Tao, Gennady M. Verkhivker
Mathematics, Physics, and Computer Science Faculty Articles and Research
In the current study, multiscale simulation approaches and dynamic network methods are employed to examine the dynamic and energetic details of conformational landscapes and allosteric interactions in the ABL kinase domain that determine the kinase functions. Using a plethora of synergistic computational approaches, we elucidate how conformational transitions between the active and inactive ABL states can employ allosteric regulatory switches to modulate intramolecular communication networks between the ATP site, the substrate binding region, and the allosteric binding pocket. A perturbation-based network approach that implements mutational profiling of allosteric residue propensities and communications in the ABL states is proposed. Consistent with …
On-Device Deep Learning Inference For System-On-Chip (Soc) Architectures, Tom Springer, Elia Eiroa-Lledo, Elizabeth Stevens, Erik Linstead
On-Device Deep Learning Inference For System-On-Chip (Soc) Architectures, Tom Springer, Elia Eiroa-Lledo, Elizabeth Stevens, Erik Linstead
Engineering Faculty Articles and Research
As machine learning becomes ubiquitous, the need to deploy models on real-time, embedded systems will become increasingly critical. This is especially true for deep learning solutions, whose large models pose interesting challenges for target architectures at the “edge” that are resource-constrained. The realization of machine learning, and deep learning, is being driven by the availability of specialized hardware, such as system-on-chip solutions, which provide some alleviation of constraints. Equally important, however, are the operating systems that run on this hardware, and specifically the ability to leverage commercial real-time operating systems which, unlike general purpose operating systems such as Linux, can …
A Fortran-Keras Deep Learning Bridge For Scientific Computing, Jordan Ott, Mike Pritchard, Natalie Best, Erik Linstead, Milan Curcic, Pierre Baldi
A Fortran-Keras Deep Learning Bridge For Scientific Computing, Jordan Ott, Mike Pritchard, Natalie Best, Erik Linstead, Milan Curcic, Pierre Baldi
Engineering Faculty Articles and Research
Implementing artificial neural networks is commonly achieved via high-level programming languages such as Python and easy-to-use deep learning libraries such as Keras. These software libraries come preloaded with a variety of network architectures, provide autodifferentiation, and support GPUs for fast and efficient computation. As a result, a deep learning practitioner will favor training a neural network model in Python, where these tools are readily available. However, many large-scale scientific computation projects are written in Fortran, making it difficult to integrate with modern deep learning methods. To alleviate this problem, we introduce a software library, the Fortran-Keras Bridge (FKB). This two-way …
Tcp Server And Client: Bookstore Enquiry, Fawaz Bukhowa
Tcp Server And Client: Bookstore Enquiry, Fawaz Bukhowa
Student Scholar Symposium Abstracts and Posters
An application called "Bookstore Enquiry", and it is implemented in Java using TCP client-server program. It contains two programs; one program is called "Server" and another one is called "Client". In this application, the 'server' maintains information about books and for each book it stores information like 'BookId', 'BookName', 'BookEdition', 'AvailableStock', 'UnitPrice', 'Discount'. This application works in such a way that, the server runs indefinitely and waits for client requests. The Client will accept the BookId & BookName from console and send it to server. If the server finds any books that matches with sent details, then it shows "BOOK …
Information Diffusion, Facebook Clusters, And The Simplicial Model Of Social Aggregation: A Computational Simulation Of Simplicial Diffusers For Community Health Interventions, Kerk Kee, Lisa Sparks, Daniele C. Struppa, Mirco A. Manucci, Alberto Damiano
Information Diffusion, Facebook Clusters, And The Simplicial Model Of Social Aggregation: A Computational Simulation Of Simplicial Diffusers For Community Health Interventions, Kerk Kee, Lisa Sparks, Daniele C. Struppa, Mirco A. Manucci, Alberto Damiano
Communication Faculty Articles and Research
By integrating the simplicial model of social aggregation with existing research on opinion leadership and diffusion networks, this article introduces the constructs of simplicial diffusers (mathematically defined as nodes embedded in simplexes; a simplex is a socially bonded cluster) and simplicial diffusing sets (mathematically defined as minimal covers of a simplicial complex; a simplicial complex is a social aggregation in which socially bonded clusters are embedded) to propose a strategic approach for information diffusion of cancer screenings as a health intervention on Facebook for community cancer prevention and control. This approach is novel in its incorporation of interpersonally bonded clusters, …