Molecular Computational Models
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Molecular Computation Models
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Author : Marian Gheorghe
language : en
Publisher: IGI Global
Release Date : 2005-01-01
Molecular Computation Models written by Marian Gheorghe and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-01-01 with Science categories.
With the increasing complexity of software systems and their widespread growth into many aspects of our lives, the need to search for new models, paradigms, and ultimately, technologies, to manage this problem is evident. The way nature solves various problems through processes evolving during billions of years was always an inspiration to many computational paradigms; on the other hand, the complexity of the problems posed by the investigation of biological systems challenged the research of new tractable models. Molecular Computational Models: Unconventional Approaches is looking into new computational paradigms from both a theoretical perspective which offers a solid foundation of the models developed, as well as from a modeling angle, in order to reveal their effectiveness in modeling and simulating, especially biological systems. Tools and programming concepts and implementation issues are also discussed in the context of some experiments and comparative studies.
Computational Modeling And Simulations Of Biomolecular Systems
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Author : Benoit Roux
language : en
Publisher: World Scientific
Release Date : 2021-08-23
Computational Modeling And Simulations Of Biomolecular Systems written by Benoit Roux and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-08-23 with Computers categories.
This textbook originated from the course 'Simulation, Modeling, and Computations in Biophysics' that I have taught at the University of Chicago since 2011. The students typically came from a wide range of backgrounds, including biology, physics, chemistry, biochemistry, and mathematics, and the course was intentionally adapted for senior undergraduate students and graduate students. This is not a highly technical book dedicated to specialists. The objective is to provide a broad survey from the physical description of a complex molecular system at the most fundamental level, to the type of phenomenological models commonly used to represent the function of large biological macromolecular machines.The key conceptual elements serving as building blocks in the formulation of different levels of approximations are introduced along the way, aiming to clarify as much as possible how they are interrelated. The only assumption is a basic familiarity with simple mathematics (calculus and integrals, ordinary differential equations, matrix linear algebra, and Fourier-Laplace transforms).
Molecular Aspects Of Biotechnology Computational Models And Theories
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Author : Juan Bertrán
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Molecular Aspects Of Biotechnology Computational Models And Theories written by Juan Bertrán and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Although biotechnology emerged from the genetic engineering revolution of the '70s, the knowledge of the structure of genes revealed its molecular aspects. Molecular biotechnology is a multidisciplinary domain of research in which experiments, simulations, and theories interact. At present, the huge increase in computer power allows us to carry out numerical simulations of biochemical systems. However, a fundamental question appears concerning the sophistication of the model utilized to capture the main features of biomolecules and biochemical processes. In the present book a group of leading specialists in molecular biotechnology provides an answer to this question. This book is thus an excellent tool for those researchers wishing to know the state-of-the-art in this domain. The book spans the range from molecular conformations through protein folding, and from chemical reactivity through enzymatic action. Furthermore, it formulates recommendations for future research in molecular biotechnology.
Computational Modeling Of Genetic And Biochemical Networks
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Author : James M. Bower
language : en
Publisher: MIT Press
Release Date : 2001
Computational Modeling Of Genetic And Biochemical Networks written by James M. Bower and has been published by MIT Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2001 with Computers categories.
How new modeling techniques can be used to explore functionally relevant molecular and cellular relationships.
Theoretical And Computational Models For Organic Chemistry
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Author : S.J. Formosinho
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Theoretical And Computational Models For Organic Chemistry written by S.J. Formosinho and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The papers in this volume were presented at the NATO Advanced Study Institute held in Porto Novo, Portugal, August 26 - September 8, 1990. The Institute has been able to cover a wide spectrum of the Theoretical and Computational Models for organic molecules and organic reactions, ranging from the ab initio to the more empirical approaches, in the tradition established in the previous Institutes at S. Feliu de Guixols (Spain) and Altinoluk (Turkey). The continuity with this work was achieved by inviting half of the lecturers present in those meetings. But other important subjects were also covered at Porto Novo by new lecturers, both from universities and the industry. Molecular Mechanics, Protein Structure and Unidimensional Models were introduced by the first time. The concept of building on the expertise already acquired and available, both in terms of methods and contents, to develop in new directions, was appreciated by participants and lecturers. The Institute first considered the fundamentals of molecular orbital computations and ab initio methods and the construction of Potential Energy Surfaces. These subjects were further explored in several applications related with optimization of equilibrium geometries and transition structures. Practical examples were studied in Tutorial sessions and solved in the computational projects making use of the Gaussian 88 and Gaussian 90 programs. Empirical models can be complementary to the quantum-mechanical ones in equilibrium geometry optimizations.
Computational Modeling Of Biological Systems
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Author : Nikolay V Dokholyan
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-02-12
Computational Modeling Of Biological Systems written by Nikolay V Dokholyan and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-02-12 with Science categories.
Computational modeling is emerging as a powerful new approach to study and manipulate biological systems. Multiple methods have been developed to model, visualize, and rationally alter systems at various length scales, starting from molecular modeling and design at atomic resolution to cellular pathways modeling and analysis. Higher time and length scale processes, such as molecular evolution, have also greatly benefited from new breeds of computational approaches. This book provides an overview of the established computational methods used for modeling biologically and medically relevant systems.
Computational Chemistry And Molecular Modeling
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Author : K. I. Ramachandran
language : en
Publisher: Springer Science & Business Media
Release Date : 2008-05-20
Computational Chemistry And Molecular Modeling written by K. I. Ramachandran and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008-05-20 with Science categories.
The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Modelling In Molecular Biology
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Author : Gabriel Ciobanu
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Modelling In Molecular Biology written by Gabriel Ciobanu and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Presents new mathematical and computational models as well as statistical methods for the solution of fundamental problems in the biosciences. Describes how to find regularities among empirical data, as well as conceptual models and theories.
Advances In Computational Modeling And Simulation
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Author : Rallapalli Srinivas
language : en
Publisher: Springer Nature
Release Date : 2022-02-15
Advances In Computational Modeling And Simulation written by Rallapalli Srinivas and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2022-02-15 with Computers categories.
The book presents select proceedings of Global meet on ‘Computational Modelling and Simulation, Recent Innovations, Challenges and Perspectives, 2020. This book covers leading-edge technologies from different domains such as computation in optimization and control, multiscale and multiphysics modeling and computation analysis, environmental modeling, modeling approaches to enterprise systems and services, finite element analysis, dependability and security, high-performance computation/cloud computing applications, computational biology and chemistry and computational mechanics. The primary goal of this book is to strengthen pre-eminence in computational modeling and simulation by catalyzing the transformative use of innovative developments in a wide range of disciplines to achieve lasting societal impact. The book discusses on how to perform simulation of large complex dynamic systems in an efficient manner using advanced computational analysis. The inter-disciplinary nature of the book would be a valuable reference for academicians and research scientists, industrialists interested in modelling and simulation driven by computational technology.
Molecular Computational Models
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Author : Marian Gheorghe
language : en
Publisher: IGI Global
Release Date : 2005-01-01
Molecular Computational Models written by Marian Gheorghe and has been published by IGI Global this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-01-01 with Science categories.
"Molecular Computation Models: Unconventional Approaches is looking into new computational paradigms from both a theoretical perspective which offers a solid foundation of the models developed, as well as from a modeling angle, in order to reveal their effectiveness in modeling and simulating, especially biological systems. Tools and programming concepts and implementation issues are also discussed in the context of some experiments and comparative studies"--Provided by publisher.