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Showing 1 - 12 of 12 results for “chen qu”
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  • Machine Learning in Molecular Sciences

    Edited by Chen Qu, Hanchao Liu ...
    Series series Chemistry and Material Science (R0)
    Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the ... Read more

    $224.99 USD

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  • Single-particle Cryo-EM of Biological Macromolecules

    by Paul D Adams, Pavel V Afonine, Xiao-chen Bai, Matthew L. Baker, Anchi Cheng, Yifan Cheng, Radostin Danev, Timothy Grant, Basil J Greber, Nikolaus Grigorieff, Patricia Grob, J Bernard Heymann, Benjamin A Himes, Corey F Hryc, Brian P Hudson, Agnel Praveen Joseph, Catherine L Lawson, Dorothee Liebschner, Steven Ludtke, Dmitry Lyumkis, Sony Malhotra, Takanori Nakane, Melanie D Ohi, Grigore Pintilie, Jane S Richardson, Alexis Rohou, Peter B Rosenthal, John L Rubinstein, Sjors H. W. Scheres, Dimitry Tegunov, Thomas C. Terwilliger, Rebecca F. Thompson, Maya Topf, Jasenko Zivanov ...
    Series series IOP ebooks
    This edited book is written for students, postdocs and established investigators who want to enter the field of single-particle cryo-EM. This is a recently developed method to determine high-resolution structures of biological macromolecules. A major strength is the fact that cryo-EM does not require prior crystallization of protein complexes. Furthermore, it is especially well suited for larger ... Read more

    $114.99 USD

  • Introduction to Protein Structure Prediction

    Methods and Algorithms

    by Yi Pan, Albert Y. Zomaya ...
    Series Book 18 - Wiley Series in Bioinformatics
    A look at the methods and algorithms used to predict protein structureA thorough knowledge of the function and structure of proteins is critical for the advancement of biology and the life sciences as well as the development of better drugs, higher-yield crops, and even synthetic bio-fuels. To that end, this reference sheds light on the methods used for protein structure prediction and reveals the ... Read more

    $142.00 USD

  • Statistical Modelling of Molecular Descriptors in QSAR/QSPR

    by Frank Emmert-Streib ...
    Series series Quantitative and Network Biology
    This handbook and ready reference presents a combination of statistical, information-theoretic, and data analysis methods to meet the challenge of designing empirical models involving molecular descriptors within bioinformatics. The topics range from investigating information processing in chemical and biological networks to studying statistical and information-theoretic techniques for analyzing ... Read more

    $117.00 USD

  • Energy Optimization in Process Systems

    by Stanislaw Sieniutycz, Jacek Jezowski ...
    Despite the vast research on energy optimization and process integration, there has to date been no synthesis linking these together. This book fills the gap, presenting optimization and integration in energy and process engineering. The content is based on the current literature and includes novel approaches developed by the authors. Various thermal and chemical systems (heat and mass exchangers, ... Read more

    $260.99 USD

  • Quantum Chemistry in the Age of Machine Learning

    Edited by Pavlo O. Dral ...
    Quantum chemistry is simulating atomistic systems according to the laws of quantum mechanics, and such simulations are essential for our understanding of the world and for technological progress. Machine learning revolutionizes quantum chemistry by increasing simulation speed and accuracy and obtaining new insights. However, for nonspecialists, learning about this vast field is a formidable ... Read more

    $197.99 USD

  • Machine Learning and Its Application to Reacting Flows

    ML and Combustion

    Edited by Nedunchezhian Swaminathan, Alessandro Parente ...
    Series Book 44 - Lecture Notes in Energy
    This open access book introduces and explains machine learning (ML) algorithms and techniques developed for statistical inferences on a complex process or system and their applications to simulations of chemically reacting turbulent flows.These two fields, ML and turbulent combustion, have large body of work and knowledge on their own, and this book brings them together and explain the ... Read more

    Free

  • Molecular Modeling and Simulation: An Interdisciplinary Guide

    An Interdisciplinary Guide

    by Tamar Schlick ...
    Series series Mathematics and Statistics (R0)
    This book evolved from an interdisciplinary graduate course entitled 'Molecular Modeling' developed at New York University. Its primary goal is to stimulate excitement for molecular modeling research while providing grounding in the discipline. Scientists who wish to enter, or become familiar with, the field of biomolecular modeling and simulation may benefit from the broad coverage of problems ... Read more

    $143.09 USD

  • Scaffold Hopping in Medicinal Chemistry

    by Raimund Mannhold, Hugo Kubinyi, Gerd Folkers ...
    Series Book 58 - Methods & Principles in Medicinal Chemistry
    This first systematic treatment of the concept and practice of scaffold hopping shows the tricks of the trade and provides invaluable guidance for the reader's own projects.The first section serves as an introduction to the topic by describing the concept of scaffolds, their discovery, diversity and representation, and their importance for finding new chemical entities. The following part ... Read more

    $126.00 USD

  • Applied Computer-Aided Drug Design: Models and Methods

    by Igor José dos Santos Nascimento ...
    Designing and developing new drugs is an expensive and time-consuming process, and there is a need to discover new tools or approaches that can optimize this process. Applied Computer-Aided Drug Design: Models and Methods compiles information about the main advances in computational tools for discovering new drugs in a simple and accessible language for academic students to early career ... Read more

    $49.69 USD

  • Computational and Data-Driven Chemistry Using Artificial Intelligence

    Fundamentals, Methods and Applications

    Edited by Takashiro Akitsu ...
    Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help ... Read more

    $179.99 USD

  • Guidebook on Molecular Modeling in Drug Design

    Edited by N. Claude Cohen ...
    Specially designed computer software is revolutionizing procedures for structured or rational drug design and discovery. The Guidebook on Molecular Modeling in Drug Design serves as a manual for the analysis ofmolecular structure and the correlation of these structures with pharmacological reactions. Intended as an introductory guide for advanced students and professionals with an interest in ... Read more

    $139.99 USD