Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand—protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure. Successful docking methods search high-dimensional spaces effectively and use a scoring function that correctly ranks candidate dockings. Garrett M. Morris and Marguerita Lim-Wilby, Molecular Docking, In Molecular Modeling of Proteins Methods in Molecular
4.0 Discussion : 4.1 Hypothesis The hypothesis of the reaction, there was similarity by comparing the compound in case nitrogen was neutral and protonated. Table (1) illustrated that there was clearly different in the energy between two cases of that compound by 119 kJ/mole with basis set 6-311+G(d,p) and 128 kJ/mole with basis set 6-31 G(d) and similarly in level of theory(B3LYP). Therefore, the protonated nitrogen of the HALS molecule had higher energy than the neutral nitrogen through the potential
name because it is not natural intelligence. This is why the name “computational intelligence”, or CI, is sometimes preferred. Artificial intelligence is used in many objects that we use everyday: cars, microwaves, personal computers, and videogames. There are many different goals for AI, depending upon your field or view. Computer science attempts to make computer systems do what only humans could do in the past. Computational philosophy tries to understand human intelligence at a computer level
Computational Linguistics Computational linguistics is a discipline between linguistics and computer science which is concerned with the computational aspects of the human language. This area of computer science overlaps with the field of Artificial Intelligence. Basically, computational linguistics is a series of programs that interprets human speech into words and actions. There are a couple of different areas of computational linguistics and those areas are theoretical computational linguistics
these tasks in medium-sized companies. Emulations: Many physical and engineering problems cannot be solved without the help of complex computer simulations. These require intensive mathematical work, and so take advantage of a mainframe's computational power. Examples include weather forecasting, or calculating the position of astronomical bodies with extreme accuracy. Many minicomputers or workstations are now used for this type of problem. General purpose: Many universities used a mainframe
'f'. As 'computer' names a nonnatural kind, almost everyone agrees that a computational interpretation of this sort is necessary for something to be a computer. But because everything in the universe satisfies at least one (mathematical) function, it is the sufficiency of such interpretations that is the problem. If, as anticomputationalists are fond of pointing out, computationalists are wedded to the view that a computational interpretation is sufficient for something to be a computer, then everything
require constant communication with the people in these areas and these people are a different breed of communicators. The typical IT person is computer literate and usually very intelligent. They have incredible deductive reasoning and superior computational abilities. Most of them are very introverted and have little or no social graces, not to mention any ability to communicate. Communication among their peers is usually something like a script from a very poorly written science fiction book or
that allowed the user to calculate answers without doing arithmetic (Hoyle). In addition to the abacus and the Pascaline, Babbage's Folly, also known as the difference machine, "hastened the development of computers. [and] advanced the state of computational hardware" (Long 55). This engine, designed by the Cambridge professor Charles Babbage, could do any of the basic functions of mathematics: adding, subtracting, multiplying, and division in series at a "rate of 60 additions per minute" (55) could
allows people with a disabilities to complete tests with minimal assistance. This allows the test results to be more valid since there is less enteraction between takers and givers. Test scoring can also be simplified and enhanced due to reduced computational errors. Test interpretation may be enhanced by providing the counselor with an expanded and consistent knowledge base to assist in the interpretation of test data. Computer-based test interpretation (CBTI) is typically based on research data and
modern world (Nash). Moral illiteracy is not being taught or lacked the education and understandings in religious or spiritual beliefs (Nash). Functional illiteracy refers to the inability of an individual to use reading, speaking, writing, and computational skills in everyday life (Literacy Center for the Midlands). Functional illiteracy is probably the most familiar and known to the public out of the three. Functional illiteracy is measured on a scale of five levels. Level one is an adult or adults
studying the brain. But even with our highest technology out there we do not know everything definitely. We do have fallbacks at times and these fallbacks can lead to serious problems. The recent advances in non-invasive brain imaging, increased computational power, and advances in signal processing methods have heightened the research in this area. As we make progress in interpreting noninvasive brain signals in time we will begin to explore applications that go beyond treatment. But for now these
respected computer - mainly for its extremely fast rate of mathematical floating-point calculation. As the university states in its July/August computer magazine "ComputerNews", the Cray's "level of performance should enable researchers with large computational requirements at the university of Toronto and other Ontario universities to compete effectively against the best in the world in their respective fields." The Cray X-MP/22 has two Central Processing Units (CPUs) - the first '2' in the '22'. The
Significance in Computer Science and Society “…With the advent of everyday use of elaborate calculations, speed has become paramount to such a high degree that there is no machine on the market today capable of satisfying the full demand of modern computational methods. The most advanced machines have greatly reduced the time required for arriving at solutions to problems which might have required months or days by older procedures. This advance, however, is not adequate for many problems encountered
advancements of technology. Teachers have seen many of these benefits with the influence of technology on their students. Many students find a sense of accomplishment when working with technology. Students are now more willing to write and work on computational skills (Estey). Then students find these tasks appealing and are able to achieve more. Another area that technology has impacted is the expansion of the learning environment. It allows students access to primary source material they could
Model of Poetic Meter Abstract. Traditional analyses of meter are hampered by their inability to image the interaction of various elements which affect the stress patterns of a line of poetry or provide a system of notation fully amenable to computational analysis. To solve these problems, the connectionist models of James McClelland and David Rumelhart in Explorations in Parallel Distributed Processing (1988) are applied to the analysis of English poetic meter. The model graphically illustrates
outcome of all such discussions is that "mind" is mysterious and beyond all scientific explanation. According to the main contemporary view, in particular, `there is something essential in human understanding that is not possible to simulate by any computational means’. This indicates that the nature of mind continues to remain a source of acute discomfort to the Western thinkers. Even their new empirical findings regarding the highly complex mental acitivity is dubious. The object of this paper is to
data as quickly as possible, using as little memory as possible. To measure or classify an algorithm according to these two criteria, we measure the algorithm’s computational complexity. The computational complexity of a sorting algorithm is it’s worst, average and best behavior. Sorting algorithms are generally classified by their computational complexity of element comparisons, against the size of the list. This is represented with what is known as ‘Big O notation’, for example where the ideal behavior
Computer Science is many things: engineering, math, science, art. The field is diverse; from coding robots who can map the bottoms of oceans to animating digital characters for Disney’s next film, computing has immersed itself in virtually every area and concentration of career. The idea of computing itself exists in both the physical and theoretical world, requiring abstract and concrete thinking to fully understand it. But what exactly makes computer science what it is? What specifically makes
Computational Complexity and Philosophical Dualism ABSTRACT: I examine some recent controversies involving the possibility of mechanical simulation of mathematical intuition. The first part is concerned with a presentation of the Lucas-Penrose position and recapitulates some basic logical conceptual machinery (Gödel's proof, Hilbert's Tenth Problem and Turing's Halting Problem). The second part is devoted to a presentation of the main outlines of Complexity Theory as well as to the introduction
annual international awards bestowed in a number of categories by Swedish and Norwegian committees in recognition of academic, cultural and scientific advances. Chemistry is one of the many categories of Nobel Prizes awarded to chemists that have dedicated life changing research in their perspective fields. In 2013, the Nobel Prize in chemistry was awarded to three theoretical chemists, Michael Levitt, Martin Karplus, and Arieh Warshe, who developed a multiscale computer to predict complex chemical reactions