Kooperativer Bibliotheksverbund

UID:

Format: 1 online resource

Note: Refereed/Peer-reviewed , Chemistry -- Introduction to RSC Chemical Biology -- Dynamic visualization of type II peptidyl carrier protein recognition in pyoluteorin biosynthesis -- Joshua C. Corpuz, Larissa M. Podust, Tony D. Davis, Matt J. Jaremko, Michael D. Burkart -- A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor -- Olawale G. Raimi, Ramon Hurtado-Guerrero, Vladimir Borodkin, Andrew Ferenbach, Michael D. Urbaniak, Michael A. J. Ferguson, Daan M. F. van Aalten -- Macrocyclic peptides that inhibit Wnt signalling via interaction with Wnt3a -- Manuel E. Otero-Ramirez, Kyoko Matoba, Emiko Mihara, Toby Passioura, Junichi Takagi, Hiroaki Suga.

Additional Edition: ISSN 2633-0679

Language: English

Keywords: Periodical. ; Periodicals. ; Periodicals. ; Periodical. ; Periodicals. ; Periodicals.

UID:

Format: 1 online resource (volumes) : , illustrations (some color)

Content: A journal dedicated to promoting research on innovative sensors, systems, devices, and technology for diagnostics and other applications.

Note: Refereed/Peer-reviewed

Additional Edition: ISSN 2635-0998

Language: English

Keywords: Periodicals. ; Periodicals. ; Periodicals. ; Periodicals.

UID:

Format: 1 online resource (433 p.)

Edition: 1st ed.

ISBN: 1-84755-839-9

Content: Food safety is important and consumers have a right to expect that those who supply the food that they buy have taken every care to manufacture products that will do them no harm. Those with a responsibility for the regulation of the global food industry recognise this principle and legislate accordingly and the business of managing and regulating the safety of the food supply chain has come a long way in the last 25 years or so. Prompted by the emergence of new food safety hazards, such as the bacterial pathogens Listeria monocytogenes and E. coli O157, powerful new techniques for evaluating

Note: Description based upon print version of record. , 9780854044603_publicity; i_iv; v_vi; vii_x; 001_006; 007_106; 107_135; 136_171; 172_176; 177_287; 288_346; 347_352; 353_387; 388_390; 391_394; 395_402; 403_413; 414_422 , English

Additional Edition: ISBN 0-85404-460-4

Language: English

UID:

Format: 1 online resource (304 p.)

Edition: 1st ed.

ISBN: 1-84755-851-8

Series Statement: Organophosphorus chemistry ; v. 36

Content: Organophosphorus Chemistry provides a comprehensive annual review of the literature. Coverage includes phosphines and their chalcogenides, phosphonium salts, low coordination number phosphorus compounds, penta- and hexa-coordinated compounds, tervalent phosphorus acids, nucleotides and nucleic acids, ylides and related compounds, and phosphazenes. The series will be of value to research workers in universities, government and industrial research organisations, whose work involves the use of organophosphorus compounds. It provides a concise but comprehensive survey of a vast field of study with

Note: Description based upon print version of record. , 9780854043545txt; prelims.pdf; preface.PDF; contents.PDF; 015.PDF; 073.PDF; 121.PDF; 184.PDF; 197.PDF; 232.PDF; 313.PDF , English

Additional Edition: ISBN 0-85404-354-3

Language: English

UID:

Format: 1 online resource (144 p.)

Edition: 1st ed.

ISBN: 1-84755-830-5

Series Statement: RSC green chemistry series

Content: By-products of global biodiesel manufacturing are a modern day global fact responsible for igniting a number of year's worldwide intense research activity into human chemical ingenuity. This highly anticipated 2nd Edition depicts how practical limitations posed by glycerol chemistry are solved based on the understanding of the fundamental chemistry of glycerol and by application of catalysis science and technology. The authors report and comment on employable, practical avenues applicable to convert glycerol into value added products of mass consumption. The best-selling reference book in the

Note: Description based upon print version of record. , 9780854041244; i_iv; v_vi; vii_x; xi_xiii; xiv_xv; xvi; 001_017; 018_031; 032_044; 045_053; 054_064; 065_072; 073_085; 086_100; 101_108; 109_123; 124_127 , English

Additional Edition: ISBN 0-85404-124-9

Language: English

UID:

Format: 1 online resource (319 p.)

Edition: 1st ed.

ISBN: 1-68015-372-2 , 1-84755-792-9

Series Statement: RSC nanoscience & nanotechnology

Content: Chemical characterisation techniques have been essential tools in underpinning the explosion in nanotechnology in recent years and nanocharacterisation is a rapidly developing field. Contributions in this book from leading teams across the globe provide an overview of the different microscopic techniques now in regular use for the characterisation of nanostructures. Essentially a handbook to all working in the field this indispensable resource provides a survey of microscopy based techniques with experimental procedures and extensive examples of state of the art characterisation methods includ

Note: Description based upon print version of record. , 9780854042418; i_iv; v_viii; ix_xiv; 001_027; 028_065; 066_093; 094_137; 138_183; 184_267; 268_290; 291-304 , English

Additional Edition: ISBN 0-85404-241-5

Language: English

UID:

Format: 1 online resource (xvi, 338 pages) : , illustrations (some color).

Edition: 1st ed.

ISBN: 1-61583-352-8 , 1-84755-887-9

Content: Focuses on chemoinformatics approaches applicable to virtual screening of very large available collections of chemical compounds to identify novel biologically active molecules.

Note: Description based upon print version of record. , Preface-- 1 -- Fragment Descriptors in SAR/QSAR/QSPR studies, molecular similarity analysis and in virtual screening-- Introduction-- Historical survey-- Main characteristics of Fragment Descriptors-- Types of Fragments-- Simple Fixed Types-- WLN and SMILES Fragments-- Atom-Centered Fragments-- Bond-Centered Fragments-- Maximum Common Substructures-- Atom Pairs and Topological Multiplets-- Substituents and Molecular Frameworks-- Basic Subgraphs-- Mined Subgraphs-- Random Subgraphs-- Library Subgraphs-- Fragments describing supramolecular systems and chemical reactions-- Storage of fragments' information-- Fragment's Connectivity-- Generic Graphs-- Labeling Atoms-- Application in Virtual Screening and In Silico Design-- Filtering-- Similarity Search-- SAR Classification (Probabilistic) Models-- QSAR/QSPR Regression Models-- In Silico Design-- Limitations of Fragment Descriptors-- Conclusion-- 2 -- Topological Pharmacophores-- Introduction-- 3D pharmacophore models and descriptors-- Topological pharmacophores-- Topological pharmacophores from 2D-aligments-- Topological pharmacophores from 2D pharmacophore fingerprints-- Topological index-based 'pharmacophores'?-- Topological pharmacophores from 2D-aligments-- Topological pharmacophores from pharmacophore fingerprints-- Topological pharmacophore pair fingerprints-- Topological pharmacophore triplets-- Similarity searching with pharmacophore fingerprints -- Technical Issues-- Similarity searching with pharmacophore fingerprints -- Some Examples-- Machine-learning of Topological Pharmacophores from Fingerprints-- Topological index-based 'pharmacophores'?-- Conclusions-- 3 -- Pharmacophore-based Virtual Screening in Drug Discovery-- Introduction-- Virtual Screening Methods-- Chemical Feature-based Pharmacophores-- The Term "3D Pharmacophore"-- Feature Definitions and Pharmacophore Representation-- Hydrogen bonding interactions-- Lipophilic areas-- Aromatic interactions-- Charge-transfer interactions-- Customization and definition of new features-- Current super-positioning techniques for aligning 3D pharmacophores and molecules-- Generation and Use of Pharmacophore Models-- Ligand-based Pharmacophore Modeling-- Structure-based Pharmacophore Modeling-- Inclusion of Shape Information-- Qualitative vs. Quantitative Pharmacophore Models-- Validation of Models for Virtual Screening-- Application of Pharmacophore Models in Virtual Screening-- Pharmacophore Models as Part of a Multi-Step Screening Approach-- Antitarget and ADME(T) Screening Using Pharmacophores-- Pharmacophore Models for Activity Profiling and Parallel Virtual Screening-- Pharmacophore Method Extensions and Comparisons to Other Virtual Screening Methods-- Topological Fingerprints-- Shape-based Virtual Screening-- Docking Methods-- Pharmacophore Constraints Used in Docking-- Further Reading-- Summary and Conclusion-- 4 -- Molecular Similarity Analysis in Virtual Screening-- Ligand-Based Virtual Screening-- Foundations of Molecular Similarity Analysis-- Molecular Similarity and Chemical Spaces-- Similarity Measures-- Activity Landscapes-- Analyzing the Nature of Structure-Activity Relationships-- Relationships between different SARs-- SARs and target-ligand interactions-- Qualitative SAR characterization-- Quantitative SAR characterization-- Implications for molecular similarity analysis and virtual screening-- Strengths and Limitations of Similarity Methods-- Conclusion and Future Perspectives-- 5 -- Molecular Field Topology Analysis in drug design and virtual screening-- Introduction: local molecular parameters in QSAR, drug design and virtual screening-- Supergraph-based QSAR models-- Rationale and history-- Molecular Field Topology Analysis (MFTA)-- General principles-- Local molecular descriptors: facets of ligand-biotarget interaction-- Construction of molecular supergraph-- Formation of descriptor matrix-- Statistical analysis-- Applicability control-- From MFTA model to drug design and virtual screening-- MFTA models in biotarget and drug action analysis-- MFTA models in virtual screening-- MFTA-based virtual screening of compound databases-- MFTA-based virtual screening of generated structure libraries-- Conclusion-- 6 -- Probabilistic approaches in activity prediction-- Introduction-- Biological Activity-- Dose-Effect Relationships-- Experimental Data-- Probabilistic Ligand-Based Virtual Screening Methods-- Preparation of Training Sets-- Creation of Evaluation Sets-- Mathematical Approaches-- Evaluation of Prediction Accuracy-- Single-Targeted vs. Multi-Targeted Virtual Screening-- PASS Approach-- Biological Activities Predicted by PASS-- Chemical Structure Description in PASS-- SAR Base-- Algorithm of Activity Spectrum Estimation-- Interpretation of Prediction Results-- Selection of the Most Prospective Compounds-- Conclusions-- 7 -- Fragment-based de novo design of druglike molecules-- Introduction--From Molecules to Fragments-- From Fragments to Molecules-- Scoring the Design-- Conclusions and Outlook-- 8 -- Early ADME/T predictions: a toy or a tool?-- Introduction-- Which properties are important for early drug discovery?-- Physico-chemical profiling-- Lipophilicity-- Solubility-- Data availability and accuracy-- Models-- Why models don't work: the challenge of the Applicability Domain-- AD based on similarity in the descriptor space-- AD based on similarity in the property-based space-- How reliable are predictions of physico-chemical properties?-- Available Data for ADME/T biological properties-- Absorption-- Data-- Models-- Distribution-- Data-- Models-- The usefulness of ADME/T models is limited by available data-- Conclusions-- 9 -- Compound Library Design -- Principles and Applications-- Introduction to Compound Library Design-- Methods for Compound Library Design-- Design for Specific Biological Activities-- Similarity Guided Design of Targeted Libraries-- Diversity Based Design of General Screening Libraries-- Pharmacophore Guided Design of Focused Compound Libraries-- QSAR Based Targeted Library Design-- Protein Structure Based Methods for Compound Library Design-- Design for Developability or Drug-likeness-- Rule & Alert Based Approaches-- QSAR Based ADMET Models-- Undesirable Functionality Filters-- Design for Multiple Objectives and Targets Simultaneously-- Concluding Remarks-- 10 -- Integrated Chemo- and Bioinformatics Approaches to Virtual Screening-- Introduction-- Availability of large compound collections for virtual screening-- NIH Molecular Libraries Roadmap Initiative and the PubChem database-- Other chemical databases in public domain-- Structure based virtual screening-- Major methodologies-- Challenges and limitations of current approaches-- The implementation of cheminformatics concepts in structure based virtual screening-- Predictive QSAR models as virtual screening tools-- Critical Importance of model validation-- Applicability domains and QSAR model acceptability criteria-- Predictive QSAR modeling workflow-- Examples of application-- Structure based chemical descriptors of protein ligand interface: the EnTESS method-- Derivation of the EnTESS descriptors-- Validation of the EnTESS descriptors for binding affinity prediction-- Structure based cheminformatics approach to virtual screening: the CoLiBRI method-- The representation of three-dimensional active sites in multidimensional chemistry space-- The mapping between chemistry spaces of active sites and ligands-- Summary and Conclusions. , English

Additional Edition: ISBN 0-85404-144-3

Language: English

UID:

Format: 1 online resource (239 p.)

Edition: 1st ed.

ISBN: 1-84755-990-5

Series Statement: RSC theoretical and computational chemistry series, 2

Content: The aim of this book is to provide a general introduction into the science behind non-covalent interactions and molecular complexes using some important experimental and theoretical methods and approaches. It is the first monograph on this subject written in close collaboration between a theoretician and an experimentalist which presents a coherent description of non-covalent interactions viewed from these two perspectives. The book describes the experimental and theoretical techniques, and some results obtained by these, which are useful in conveying the principles underlying the observable o

Note: Description based upon print version of record. , Non-Covalent Interactions_OFC_Publicity; i_iv; v_vi; vii_viii; ix_xii; 001_020; 021_069; 070_133; 134_154; 155_205; 206_220; 221_226 , English

Additional Edition: ISBN 1-84755-853-4

Language: English

UID:

Format: 1 online resource (325 p.)

Edition: 1st ed.

ISBN: 1-62870-148-X , 1-84755-971-9

Series Statement: Issues in environmental science and technology,

Content: It is widely recognised that global warming is occurring due to increasing levels of carbon dioxide and other greenhouse gases in the atmosphere. Methods of capturing and then storing CO2 from major sources such as fossil-fuel-burning power plants are being developed to reduce the levels emitted to the atmosphere by human activities. The book reports on progress in this field and provides a context within the range of natural absorption processes in the oceans and forests and in soil. Comparisons with alternative energy sources such as solar and nuclear are made and policy issues are also revi

Note: Description based upon print version of record. , Carbon Capture and Storage_OFC_Publicity; i_iv; v_vi; vii_xii; xiii_xiv; xv_xvi; 001_040; 041_064; 065_101; 102_125; 126_154; 155_178; 179_202; 203_239; 240_284; 285_300; 301_308 , English

Additional Edition: ISBN 1-84755-917-4

Language: English

UID:

Format: 1 online resource (545 p.)

ISBN: 1-84755-953-0

Series Statement: Metal ions in life sciences, v. 5

Content: These sulfur-rich chelators, being important in metal ion homeostasis, find increasing attention. MILS-5, written by 30 internationally recognized experts, focuses on this hot topic. The reader is supported by about 20 tables, more than 80 illustrations and nearly 2000 references. This book is an essential resource for scientists working in a wide range of disciplines from environmental toxicology and inorganic biochemistry all the way through to physiology and medicine.

Note: Description based upon print version of record. , 9781847558992; i_iv; v_vi; vii_viii; ix_xvi; xvii_xx; xxi_xxii; xxiii_xxx; 001_030; 031_050; 051_082; 083_106; 107_154; 155_182; 183_198; 199_238; 239_278; 279_318; 319_352; 353_398; 399_412; 413_440; 441_482; 483_514 , English

Additional Edition: ISBN 1-84755-899-2

Language: English