How to Use Jmol to Study and Present Molecular Structures PDF Download
Are you looking for read ebook online? Search for your book and save it on your Kindle device, PC, phones or tablets. Download How to Use Jmol to Study and Present Molecular Structures PDF full book. Access full book title How to Use Jmol to Study and Present Molecular Structures by Angel Herráez. Download full books in PDF and EPUB format.
Author: Angel Herráez
Publisher: Lulu.com
ISBN: 1847992595
Category : Computers
Languages : en
Pages : 144
Get Book Here
Book Description
Jmol is an interactive viewer for molecular models in the computer. This book aims to be both a tutorial for beginners and a handbook for reference and deepening for more skilled users. It may be of profit for instructors, content authors, students, researchers, and administrators or designers of information portals. The book is organized in sections for a gradual learning curve. It starts with the simplest and most frequent commands and then advances into the occasional, specific and more complex ones. There are sections addressed to those who only need occasional and basic use, another that explains how to take advantage of the command language -split into two levels and further continued on vol. 2- and, finally, a section only needed by those interested on preparing web pages to present models to others. A command index is included, as well as a glossary and a listing of reference addresses in internet, including that of the companion website created for this book.
Author: Angel Herráez
Publisher: Lulu.com
ISBN: 1847992595
Category : Computers
Languages : en
Pages : 144
Get Book Here
Book Description
Jmol is an interactive viewer for molecular models in the computer. This book aims to be both a tutorial for beginners and a handbook for reference and deepening for more skilled users. It may be of profit for instructors, content authors, students, researchers, and administrators or designers of information portals. The book is organized in sections for a gradual learning curve. It starts with the simplest and most frequent commands and then advances into the occasional, specific and more complex ones. There are sections addressed to those who only need occasional and basic use, another that explains how to take advantage of the command language -split into two levels and further continued on vol. 2- and, finally, a section only needed by those interested on preparing web pages to present models to others. A command index is included, as well as a glossary and a listing of reference addresses in internet, including that of the companion website created for this book.
Author: Avi Hofstein
Publisher: BRILL
ISBN: 9004503625
Category : Education
Languages : en
Pages : 445
Get Book Here
Book Description
The book consists of 16 chapters and 2 commentaries describing long term R&D projects in science and mathematics education conducted in the Department of Science Teaching, The Weizmann Institute of Science. Almost all the chapters describe long-term projects, some over the period of 50 years.
Author: Nathan Brown
Publisher: John Wiley & Sons
ISBN: 3527654321
Category : Medical
Languages : en
Pages : 249
Get Book Here
Book Description
Written with the practicing medicinal chemist in mind, this is the first modern handbook to systematically address the topic of bioisosterism. As such, it provides a ready reference on the principles and methods of bioisosteric replacement as a key tool in preclinical drug development. The first part provides an overview of bioisosterism, classical bioisosteres and typical molecular interactions that need to be considered, while the second part describes a number of molecular databases as sources of bioisosteric identification and rationalization. The third part covers the four key methodologies for bioisostere identification and replacement: physicochemical properties, topology, shape, and overlays of protein-ligand crystal structures. In the final part, several real-world examples of bioisosterism in drug discovery projects are discussed. With its detailed descriptions of databases, methods and real-life case studies, this is tailor-made for busy industrial researchers with little time for reading, while remaining easily accessible to novice drug developers due to its systematic structure and introductory section.
Author:
Publisher:
ISBN:
Category : Medicine
Languages : en
Pages : 1136
Get Book Here
Book Description
Author: Mahmood A. Mahdavi
Publisher: BoD – Books on Demand
ISBN: 9533072822
Category : Computers
Languages : en
Pages : 740
Get Book Here
Book Description
Bioinformatics - Trends and Methodologies is a collection of different views on most recent topics and basic concepts in bioinformatics. This book suits young researchers who seek basic fundamentals of bioinformatic skills such as data mining, data integration, sequence analysis and gene expression analysis as well as scientists who are interested in current research in computational biology and bioinformatics including next generation sequencing, transcriptional analysis and drug design. Because of the rapid development of new technologies in molecular biology, new bioinformatic techniques emerge accordingly to keep the pace of in silico development of life science. This book focuses partly on such new techniques and their applications in biomedical science. These techniques maybe useful in identification of some diseases and cellular disorders and narrow down the number of experiments required for medical diagnostic.
Author: Yasha Hasija
Publisher: Elsevier
ISBN: 0443152519
Category : Science
Languages : en
Pages : 314
Get Book Here
Book Description
All About Bioinformatics: From Beginner to Expert provides readers with an overview of the fundamentals and advances in the _x001F_field of bioinformatics, as well as some future directions. Each chapter is didactically organized and includes introduction, applications, tools, and future directions to cover the topics thoroughly. The book covers both traditional topics such as biological databases, algorithms, genetic variations, static methods, and structural bioinformatics, as well as contemporary advanced topics such as high-throughput technologies, drug informatics, system and network biology, and machine learning. It is a valuable resource for researchers and graduate students who are interested to learn more about bioinformatics to apply in their research work. - Presents a holistic learning experience, beginning with an introduction to bioinformatics to recent advancements in the field - Discusses bioinformatics as a practice rather than in theory focusing on more application-oriented topics as high-throughput technologies, system and network biology, and workflow management systems - Encompasses chapters on statistics and machine learning to assist readers in deciphering trends and patterns in biological data
Author: Richard D. Cummings
Publisher: Academic Press
ISBN: 0080920055
Category : Science
Languages : en
Pages : 507
Get Book Here
Book Description
The Handbook of Glycomics provides the first comprehensive overview of the emerging field of glycomics, defined as the study of all complex carbohydrates in an organism or cell ("the glycome"). Beginning with analytic approaches and bioinformatics, this work provides a detailed discussion of relevant databases, data integration, and analysis. It then moves on to a discussion of specific model organism and pathogen glycomes followed by therapeutic approaches to human disorders of glycosylization. Structure and function of glycomes are included along with state-of-the-art technologies and systems approaches to the analysis of glycans. - Synthesizes contributions from experts in biology, chemistry, bioinformatics, biotechnology, and medicine - Highlights chapters devoted to chemical synthesis, cancer glycomics and immune cell glycomics - Includes discussions of proteomics, mass spectrometry, NMR, array technology, and transcriptomics analytic approaches
Author: Martina Restuati
Publisher: European Alliance for Innovation
ISBN: 1631901958
Category : Education
Languages : en
Pages : 1227
Get Book Here
Book Description
This book contains the proceedings of the The 5th Annual International Seminar on Trends in Science and Science Education (AISTSSE) and The 2nd International Conference on Innovation in Education, Science and Culture (ICIESC), where held on 18 October 2018 and 25 September 2018 in same city, Medan, North Sumatera. Both of conferences were organized respectively by Faculty of Mathematics and Natural Sciences and Research Institute, Universitas Negeri Medan. The papers from these conferences collected in a proceedings book entitled: Proceedings of 5th AISTSSE. In publishing process, AISTSSE and ICIESC were collaboration conference presents six plenary and invited speakers from Australia, Japan, Thailand, and from Indonesia. Besides speaker, around 162 researchers covering lecturers, teachers, participants and students have attended in this conference. The researchers come from Jakarta, Yogyakarta, Bandung, Palembang, Jambi, Batam, Pekanbaru, Padang, Aceh, Medan and several from Malaysia, and Thailand. The AISTSSE meeting is expected to yield fruitful result from discussion on various issues dealing with challenges we face in this Industrial Revolution (RI) 4.0. The purpose of AISTSSE is to bring together professionals, academics and students who are interested in the advancement of research and practical applications of innovation in education, science and culture. The presentation of such conference covering multi disciplines will contribute a lot of inspiring inputs and new knowledge on current trending about: Mathematical Sciences, Mathematics Education, Physical Sciences, Physics Education, Biological Sciences, Biology Education, Chemical Sciences, Chemistry Education, and Computer Sciences. Thus, this will contribute to the next young generation researches to produce innovative research findings. Hopely that the scientific attitude and skills through research will promote Unimed to be a well-known university which persist to be developed and excelled. Finally, we would like to express greatest thankful to all colleagues in the steering committee for cooperation in administering and arranging the conference. Hopefully these seminar and conference will be continued in the coming years with many more insight articles from inspiring research. We would also like to thank the invited speakers for their invaluable contribution and for sharing their vision in their talks. We hope to meet you again for the next conference of AISTSSE.
Author: Enrique Abad
Publisher: Springer Science & Business Media
ISBN: 3642309062
Category : Science
Languages : en
Pages : 211
Get Book Here
Book Description
In recent years, ever more electronic devices have started to exploit the advantages of organic semiconductors. The work reported in this thesis focuses on analyzing theoretically the energy level alignment of different metal/organic interfaces, necessary to tailor devices with good performance. Traditional methods based on density functional theory (DFT), are not appropriate for analyzing them because they underestimate the organic energy gap and fail to correctly describe the van der Waals forces. Since the size of these systems prohibits the use of more accurate methods, corrections to those DFT drawbacks are desirable. In this work a combination of a standard DFT calculation with the inclusion of the charging energy (U) of the molecule, calculated from first principles, is presented. Regarding the dispersion forces, incorrect long range interaction is substituted by a van der Waals potential. With these corrections, the C60, benzene, pentacene, TTF and TCNQ/Au(111) interfaces are analyzed, both for single molecules and for a monolayer. The results validate the induced density of interface states model.
Author: Vikas Anand Saharan
Publisher: Springer Nature
ISBN: 9811651809
Category : Medical
Languages : en
Pages : 767
Get Book Here
Book Description
This book examines the role of computer-assisted techniques for discovering, designing, optimizing and manufacturing new, effective, and safe pharmaceutical formulations and drug delivery systems. The book discusses computational approaches, statistical modeling and molecular modeling for the development and safe delivery of drugs in humans. The application of concepts of QbD (Quality by Design), DoE (Design of Experiments), artificial intelligence and in silico pharmacokinetic assessment/simulation have been made a lot easier with the help of commercial software and expert systems. This title provides in-depth knowledge of such useful software with illustrations from the latest researches. The book also fills in the gap between pharmaceutics and molecular modeling at micro, meso and maro scale by covering topics such as advancements in computer-aided Drug Design (CADD), drug-polymer interactions in drug delivery systems, molecular modeling of nanoparticles and pharmaceutics/bioinformatics. This book provides abundant applications of computers in formulation designing and characterization are provided as examples, case studies and illustrations. Short reviews of software, databases and expert systems have also been added to culminate the interest of readers for novel applications in formulation development and drug delivery. Computer-aided pharmaceutics and drug delivery is an authoritative reference source for all the latest scholarly update on emerging developments in computed assisted techniques for drug designing and development. The book is ideally designed for pharmacists, medical practitioners, students and researchers.
