By Jean-Pierre Doucet, Jacques Weber
The computer-aided layout of novel molecular structures has certainly reached the level of a mature self-discipline supplying a wide variety of instruments to be had to almost any chemist. despite the fact that, there are few books coveringmost of those ideas in one quantity and utilizing a language which could typically be understood via scholars or chemists with a constrained wisdom of theoretical chemistry. the aim of this publication is strictly to check, in this type of language, either methodological elements and significant functions of computer-aided molecular layout (CAMD), with a different emphasis on drug layout and protein modeling. utilizing a variety of examples starting from molecular versions to shapes, surfaces, and volumes, Computer-Aided Molecular layout presents assurance of the position molecular pics play in CAMD. The textual content additionally treats the very idea of the constitution of molecular structures via featuring either many of the experimental thoughts giving entry to it and the commonest version developers according to strength fields. Separate chapters are dedicated to different very important issues in CAMD, reminiscent of Monte Carlo and molecular dynamics simulations; commonest quantum chemical tools; derivation and visualization of molecular houses; and molecular similarity. eventually, ideas utilized in protein modeling and drug layout, similar to receptor mapping and the pharmacophore technique, are awarded and illustrated by way of a number of examples. The publication is addressed to scholars and researchers who desire to input this new fascinating box of molecular sciences, but additionally practitioners in CAMD as a accomplished resource of clean details of their box. Key beneficial properties* offers a accomplished creation to computer-aided molecular layout* Describes purposes of CAMD by utilizing a number of examples* Emphasizes concepts utilized in protein modeling and drug layout* comprises separate chapters dedicated to different vital themes in CAMD, such as:* Monte Carlo and molecular dynamics simulations* universal quantum chemical equipment* Derivation and visualization of molecular houses* Molecular similarity
By Cristian S. Calude
Professor Jozef Gruska is a widely known desktop scientist for his many and large effects. He was once the daddy of theoretical laptop technological know-how study in Czechoslovakia and one of the first Slovak programmers within the early Nineteen Sixties. Jozef Gruska brought the descriptional complexity of grammars, automata, and languages, and is among the pioneers of parallel (systolic) automata. His different major study pursuits comprise parallel structures and automata, in addition to quantum details processing, transmission, and cryptography. he's co-founder of 4 typical sequence of meetings in informatics and in quantum info processing and the Founding Chair (1989-96) of the IFIP professional team on Foundations of computing device Science.
By Luc Pronzato, Anatoly Zhigljavsky
This edited quantity, devoted to Henry P. Wynn, displays his vast variety of analysis pursuits, focusing particularly at the functions of optimum layout conception in optimization and information. It covers algorithms for developing optimum experimental designs, normal gradient-type algorithms for convex optimization, majorization and stochastic ordering, algebraic information, Bayesian networks and nonlinear regression. Written by means of top experts within the box, each one bankruptcy features a survey of the prevailing literature besides enormous new fabric. This paintings will attract either the professional and the non-expert within the components coated. by means of attracting the eye of specialists in optimization to special interconnected components, it may support stimulate additional examine with a possible impression on functions.
By C. Eschenbach, M. Gruninger
For the reason that its begin ten years in the past, the foreign convention in Formal Ontology on info platforms (FOIS) has explored the a number of views at the idea of ontology that experience arisen from such assorted examine groups as philosophy, common sense, computing device technology, cognitive technology, linguistics, and diverse medical domain names. As ontologies were utilized in new and interesting domain names corresponding to the realm vast net, bioinformatics and geographical info platforms, it has turn into obvious that there's a desire for ontologies which have been constructed with stable theoretical foundations according to philosophical, linguistic and logical research. equally, there's additionally a necessity for theoretical learn that's pushed via the problems which have been raised by way of fresh paintings within the extra utilized domain names. FOIS is meant to be a discussion board within which to discover this interaction among the theoretical insights of formal ontology and their software to info platforms and rising semantic applied sciences. subject matters rising from this quantity supply a photo of present concerns in the fields of formal ontology and ontological engineering, in addition to delivering a glimpse of destiny examine directions.
IOS Press is a world technological know-how, technical and scientific writer of top quality books for lecturers, scientists, and execs in all fields.
a number of the parts we submit in:
-Databases and data systems
-All points of physics
-The wisdom economy
-Understanding and responding to terrorism
By B. Gopinath (ed.)
This can be the lawsuits of the 1983 AMS brief path given at Denver, Colorado. computing device communications is characterised by way of fast technological advances proposing difficulties of a theoretical nature which are frequently very tough to resolve. they vary from those who come up on a unmarried chip, the place verbal exchange between millions of parts on a chip is inspired by means of electric houses, to people who come up whilst people speak with databases the place the logical features of communications play a extra very important position. numerous mathematical equipment is required to aim to unravel such difficulties; they range from partial differential equations to temporal or modal common sense. the thing on ""Diffusion Approximation"" is maybe the best experiences of this box. The publication is exclusive in having participants from numerous diversified fields of machine communications. the entire articles are of excessive examine price and are self-contained
By John Shaw, Gary Evans
Pro ADO.NET facts providers: operating with RESTful Data is geared toward builders drawn to profiting from the REST–style information providers that ADO.NET facts prone (formerly code–named Astoria) offers. The booklet exhibits easy methods to contain ADO.NET facts providers right into a wide variety of universal environments, together with BizTalk, Ajax and Silverlight patron functions. the fabric is meant for pro builders who're happy with the .NET 3.5 Framework yet are coming to ADO.NET facts prone for the 1st time and need to appreciate how you can combine it into their very own purposes and firm strategies. The e-book is packed complete with huge real–world suggestions and workouts, making sure you stroll away with a deep figuring out of the way to take advantage of ADO.NET info companies in your most sensible virtue.
By James Goodwill
Jakarta Struts undertaking presents an open resource framework for developing internet functions that leverage either the Java Servlets and JavaServer Pages applied sciences. Struts has got developer aid and is readily changing into a dominant actor within the open resource group. * James Goodwill is a well-respected authority and bestselling writer of books on Java net functions * presents a hands-on, code-intensive educational on development Java internet functions utilizing the Jakarta Struts Framework * better half site presents digital types of all code examples within the ebook
By Dr. Clifford A. Shaffer
Techniques for representing info are awarded in the context of assessing charges and merits, selling an realizing of the foundations of set of rules research and the consequences of a selected actual medium. The textual content additionally explores tradeoff concerns, familiarizes readers with the main prevalent facts buildings and their algorithms, and discusses matching applicable information buildings to purposes. the writer bargains particular assurance of layout styles encountered during programming the book's uncomplicated facts buildings and algorithms. a number of examples seem during the text.
By Helmut Seidl
This booklet constitutes the refereed lawsuits of the tenth foreign convention on Foundations of software program technological know-how and Computation buildings, FOSSACS 2007, held in Braga, Portugal in March/April 2007 as a part of ETAPS 2007, the ecu Joint meetings on idea and perform of Software.
The 25 revised complete papers offered including the summary of one invited speak have been rigorously reviewed and chosen from 103 submissions. The papers conceal a wide spectrum on theories and techniques to help research, synthesis, transformation and verification of courses and software program structures. specifically the subsequent issues are handled: algebraic versions, automata and language idea, behavioral equivalences, express versions, computation approaches over discrete and non-stop facts, limitless kingdom platforms computation constructions, logics of courses, modal, spatial, and temporal logics, versions of concurrent, reactive, dispensed, and cellular platforms, strategy algebras and calculi, semantics of programming languages, software program specification and refinement, kind structures and sort conception, basics of safety, semi-structured facts, software correctness and verification.
By Alok Aggarwal, C. Pandu Rangan
This ebook constitutes the refereed lawsuits of the tenth overseas Symposium on Algorithms and Computation, ISAAC'99, held in Chennai, India, in December 1999.
The forty revised complete papers provided including 4 invited contributions have been rigorously reviewed and chosen from seventy one submissions. one of the issues coated are info constructions, parallel and disbursed computing, approximation algorithms, computational intelligence, on-line algorithms, complexity thought, graph algorithms, computational geometry, and algorithms in perform.