Sharif Digital Repository

Protein-ligand binding affinity is extremely important for finding new candidates in drug discovery and computational biochemistry. One of the physical characteristics for protein ligand interactions has been dissociation constant (KD) which can be obtain experimentally. However, there have been tremendous efforts to predict KD using modeling and computational approaches for protein-ligand interactions. In this project, we have exploited Convolutional Neural Network (CNN) model based on KDeep design, PDBBind version 2016 refined set training data, and examining it with KDeep core set test data. In order to modify KDeep,instead of 24 rotations (0, 90, 180 and 270 degrees in selection of two... 

Recently, parametric excitation has been proposed and experimentally proven to provide micro gyroscopes with robustness to parameter variations and enhancement of sensitivity. harmonic excitation gyroscopes are very sensitive to response of a resonance at the resonant frequency; therefore it has to be created accurately. However, parametric excitation gyroscopes are not sensitive as a result of wide bound of frequency at drive mode, accordingly it is not necessary to be formed accurately in the same way as harmonic excitation gyroscope.
The produced stress at combs have a significance effect on robustness, sensitivity and calibration curves of parametric excitation gyroscope, as a... 

In today‘s world, the need for travel to different places for various reasons like politics, business and entertainment is unavoidable. This demonstrates the importance of the airline industry and the attention is achieved from the society. Different airlines try various strategies to satisfy more customers of this industry and of course more benefit would arise. These strategies would work more efficiently based on the outcome of a sound research on the exact needs of the customers, their perceived quality and expectations, and the gaps between the two and how they can be filled. This research follows the aim of understanding customer satisfaction for airline industry in Kish Island .In... 

Network Function Virtualization (NFV) is a new paradigm for designing modern computer networks and data centers. NFV leverages the IT virtualization technologies to virtualize entire classes of network node functions into building blocks that may connect, or chain together to create communication services. In this research, we analysed and designed two offline and online algorithms for the problem of join optimization over placement and routing of network function chains in data centers. In the offline case, we showed that traditional randomized rouding works well and by help of chrnoff bound, we derive a new bound on performance gap. The online algorithm in both performance and resource... 

In this thesis, which is based on an article of Claus Scheiderer (Reference [21]), the relation between positive semi-definite elements of a semilocal ring, called psd, and elements of the ring which can be written as a sum of square elements of the ring and are called sos will be evaluated. In Chapter One, the concepts of prime cones, real spectrum of a ring and real ideals will be defined and then the relation between psd and sos elements in the total rings of quotients will be assessed. The Krull Valuation of an element which is a sum of squares will also be determined. In Chapter Two, the concept of totally positive elements in a ring will be defined and their properties will be... 

Aluminum alloys are widely used in many applications in aerospace and automotive industries. Therefore, the study of the effects of different parameters such as chemical composition, temperature, strain, strain rate and recovery and recrystallization phenomena being more effective on controlling of microstructure and final properties of product, are more important. In this research, deformation behavior of AlMg6 alloy has been studied from two theoretical and experimental views as described below: In ambient temperature deformation, the mechanical properties in correlation on the microstructures developed at different temperatures have been assessed. The results of tensile test demonstrated... 

For a field of characteristic not two, the classical u-invariant is defined as the maximal dimension of anisotropic quadratic forms over F. Initially Kaplansky conjectured that u(F), when finite, is always a 2-power. Later Merkurjev constructed a field F such that u(F) = 6. This dissertation examines in detail the article: R. Elman, T. Y. Lam, Quadratic forms and the u-invariant. I. Math. Z. 131, 283-304 (1973). in which the notion of ”generalized u-invariant” (motivated by Pfister’s Local-Global Principle) was defined as the maximal dimension of anisotropic torsion quadratic forms over F. This is indeed a right generalization of the definition of the classical u-invariant since it not only... 

This master’s thesis has three chapters. In the first and second chapters provided all the necessary preparations for the third chapter to describes the following article: Lewis, D. W, Units in Witt rings, Commun. Algebra 18, no. 10, 3295-3306 (1990).The first chapter includes an introduction of quadratic forms and Witt ring on fields with characteristic unequal 2, studing W b(F) in the category of commutative rings and introduction of formally real and nonreal fields. In this chapter there are important theorems such as Witt’s Decomposition and Cancellation Theorem, Cassels Representation, Springer and Pfister’s Local-Global Principle. The second chapter introduces the discretely valuated... 

This master’s thesis has two major parts. The first part which includes chapters 1 to 8, describes the article A. Pfister, Quadratische Formen in beliebigen Körpern, Invent. Math. 1, (1966)pp. 116-132, and expresses important facts about the Witt ring W(K) of quadratic forms over an arbitrary field K of characteristic unequal to 2. Among those, it is shown that the order of each element in the additive group of W(K) is a power of 2, the Witt ring doesn’t have any zero divisor of odd dimension and a necessary and sufficient condition for W(K) to be an integral domain is given. The connections between the square class number of a field and the cardinality of its Witt ring and, providing some...