Computer aided drug design (75 Ergebnisse)

Zustand: New.

Zustand: New. pp. 168.

Zustand: New. This is a Brand-new US Edition. This Item may be shipped from US or any other country as we have multiple locations worldwide.

Zustand: New. Brand New. Soft Cover International Edition. Different ISBN and Cover Image. Priced lower than the standard editions which is usually intended to make them more affordable for students abroad. The core content of the book is generally the same as the standard edition. The country selling restrictions may be printed on the book but is no problem for the self-use. This Item maybe shipped from US or any other country as we have multiple locations worldwide.…

Zustand: New. Brand New. Soft Cover International Edition. Different ISBN and Cover Image. Priced lower than the standard editions which is usually intended to make them more affordable for students abroad. The core content of the book is generally the same as the standard edition. The country selling restrictions may be printed on the book but is no problem for the self-use. This Item maybe shipped from US or any other country as we have multiple locations worldwide.…

Zustand: New. pp. 235.

Zustand: New. In English.

Zustand: New. In English.

Hardcover. 21,5 x 15 cm. Dark grey original hardback. XIII, (I), 252 pages with some b/w figures. Top of spine is bumped very slightly, a name inside the frontcover (see text below). Clean copy in good condition. Aus dem Besitz des Professors Hans-Jürgen Quabbe (Klinikum Berlin Steglitz / FU Berlin) mit seinem Namen im Innendeckel. / Preowner: Professors Hans-Jürgen Quabbe (Klinikum Berlin Steglitz / FU Berlin) // 2nd ISBN: 0387590412 -- Bitte Portokosten außerhalb EU erfragen! / Please ask for postage costs outside EU! / S ' il vous plait demander des frais de port en dehors de l ' UE! // Bitte beachten Sie auch unsere Fotos! / Please also note our photos! / Veuillez noter nos photos -- Genießen Sie den goldenen Herbst! Machen Sie es sich gemütlich , bei uns finden Sie sicher die passende Lektüre! -- Wir kaufen Ihre werthaltigen Bücher! Chem. …

Taschenbuch. Zustand: Neu. Neuware - The integration of computational methods into drug discovery has reshaped how molecular design, analysis, and optimization are performed in pharmaceutical research. This text presents a structured treatment of the principles governing the prediction of biological activity from molecular structure.The content progresses from physicochemical foundations to quantitative modeling, explaining how electronic, steric, and hydrophobic factors influence drug-receptor interactions. Quantitative Structure-Activity Relationships are addressed through both two-dimensional and three-dimensional approaches, supported by statistical interpretation and validation.Molecular modeling techniques, including molecular mechanics, quantum chemical methods, energy minimization, and conformational analysis, are discussed with emphasis on structural accuracy and biological relevance. Molecular docking is examined through rigid and flexible approaches, along with scoring functions and validation protocols.Key Features- Coverage of physicochemical principles in drug design- 2D-QSAR and 3D-QSAR with validation approaches- Molecular modeling and conformational analysis- Molecular docking methods and scoring functions- ADMET prediction and toxicity assessment- Pharmacophore modeling and virtual screeningExclusively written for M.Pharm students as per PCI Syllabus.…

Paperback. Zustand: Brand New. 84 pages. 8.66x5.91x0.19 inches. In Stock.

Zustand: New. In English.

Zustand: New.

Buch. Zustand: Neu. Neuware - Hepatitis C and Dengue viruses belong to the family of Flaviviridae. Viruses in this family are enveloped, have positive-sense RNA and are responsible for a variety of life threatening diseases. Hepatitis C virus is the major etiological agent of post-transfusion hepatitis worldwide. An estimated 3 % of the world's population is infected with HCV according to the World Health Organization. Infection with HCV will most regularly result in chronic hepatitis, which leads to liver cirrhosis, hepatocellular carcinoma and liver failure. Dengue is currently the most important viral disease transmitted by mosquitoes afflicting humans the world context. Clinical symptoms range from mild fevers to a severe haemorrhagic disease. To date neither specific antiviral treatments exist nor are there any vaccines available for both infections. Thus there is an urgent need for new therapies.…

PAP. Zustand: New. New Book. Shipped from UK. Established seller since 2000.

Buch. Zustand: Neu. Neuware - The integration of computational methods into drug discovery has reshaped how molecular design, analysis, and optimization are performed in pharmaceutical research. This text presents a structured treatment of the principles governing the prediction of biological activity from molecular structure.The content progresses from physicochemical foundations to quantitative modeling, explaining how electronic, steric, and hydrophobic factors influence drug-receptor interactions. Quantitative Structure-Activity Relationships are addressed through both two-dimensional and three-dimensional approaches, supported by statistical interpretation and validation.Molecular modeling techniques, including molecular mechanics, quantum chemical methods, energy minimization, and conformational analysis, are discussed with emphasis on structural accuracy and biological relevance. Molecular docking is examined through rigid and flexible approaches, along with scoring functions and validation protocols.Key Features- Coverage of physicochemical principles in drug design- 2D-QSAR and 3D-QSAR with validation approaches- Molecular modeling and conformational analysis- Molecular docking methods and scoring functions- ADMET prediction and toxicity assessment- Pharmacophore modeling and virtual screeningExclusively written for M.Pharm students as per PCI Syllabus.…

Gebunden. Zustand: New. KlappentextrnrnHepatitis C and Dengue viruses belong to the family of Flaviviridae. Viruses in this family are enveloped, have positive-sense RNA and are responsible for a variety of life threatening diseases. Hepatitis C virus is the major etio.

PAP. Zustand: New. New Book. Shipped from UK. Established seller since 2000.

Taschenbuch. Zustand: Neu. Neuware - Drug discovery is undergoing a fundamental shift from empirical experimentation to precise, data-driven design powered by computational science. Computer-Aided Drug Design presents a structured and application-focused approach to modern drug development, integrating core concepts with advanced computational methodologies.The book systematically covers key domains including QSAR modeling, molecular modeling, docking, virtual screening, bioinformatics, and chemoinformatics. The content is enriched with more than 90 illustrations that present concepts with clear visual support.Emphasizing mechanistic understanding and workflow integration, the text connects molecular-level interactions with data-driven decision-making, enabling readers to understand not only how methods work but why they are applied.Each topic is presented with clarity and technical depth, reflecting current industry practices and research standards.Designed for students of B.Pharm, M.Pharm, and Pharm.D, as well as researchers and professionals, this book serves as a reliable guide for mastering computational strategies in drug discovery. It stands as a practical and forward-looking resource for those seeking to engage with the evolving landscape of rational drug design. …

Paperback. Zustand: Brand New. reprint edition. 272 pages. 8.26x5.82x0.70 inches. In Stock.

Taschenbuch. Zustand: Neu. Neuware - Drug discovery has evolved from empirical experimentation into a data-driven, computation-intensive discipline, yet challenges of high attrition, rising costs, and translational failure persist. Addressing this complexity demands a mechanistic and predictive approach to molecular design.Computer-Aided Drug Design: Principles, Methods, and Applications in Drug Discovery presents a rigorous and integrated framework for modern CADD, encompassing molecular modeling, QSAR, docking, molecular dynamics, virtual screening, pharmacophore modeling, and fragment-based design. Rather than isolating techniques, the text connects algorithms, physicochemical principles, and biological systems to explain how computational methods guide rational drug development .Designed for postgraduate pharmacy students, doctoral researchers, and professionals, the book delivers conceptual clarity and algorithmic understanding while supporting structured academic responses and practical workflow competence.Its distinguishing strength lies in mechanistic depth and decision-focused reasoning-each method is examined in terms of its assumptions, parameter sensitivity, and real-world applicability, bridging computational prediction with pharmaceutical relevance.As drug discovery increasingly integrates artificial intelligence and large-scale data, this work provides a clear intellectual pathway to navigate and advance the future of rational therapeutic design.…

Taschenbuch. Zustand: Neu. Neuware - Reactive PublishingDiscover How Python Powers the Next Generation of Computational Biology and Molecular DiscoveryModern drug discovery sits at the intersection of structural biology, high-performance computing, and automated data pipelines. As the volume of macromolecular structures grows exponentially, the ability to programmatically analyze, manipulate, and simulate complex biophysical systems has become an essential skill for computational chemists, bioinformaticians, and pharmaceutical researchers.Python for Structural Bioinformatics & Computer-Aided Drug Design provides a structured, developer-focused entry into the computational techniques transforming modern rational drug design. Written for researchers, data scientists, and quantitative analysts looking to translate biological data into actionable therapeutic insights, this text bridges the gap between raw biophysical data and production-grade Python scripts.What You Will Learn: - Macromolecular Data Ingestion & Parsing: Programmatically access, clean, and process multi-gigabyte structural files from the Protein Data Bank (PDB) and mmCIF formats using modern Python libraries.- Structural Feature Extraction: Compute 3D spatial properties, surface area metrics, electrostatic potentials, and residue interaction networks to quantify biomolecular architecture.- Small Molecule Representation & Chemoinformatics: Work with SMILES, SDF files, and molecular graphs to evaluate chemical space, calculate ADMET properties, and build library screening pipelines.- Virtual Screening & Molecular Docking: Prepare target receptors and ligand libraries, configure automated docking runs, and post-process binding energy scores for high-throughput hit identification.- Binding Site Analysis & Interaction Mapping: Automate the detection of cryptic pockets, catalytic residues, and hydrogen-bonding networks critical for lead optimization.- Reproducible Pipeline Design: Build modular, scalable Python workflows that integrate directly with standard computational chemistry suites and high-performance computing clusters.Who This Book Is For: This book is engineered for scientists and engineers ready to apply quantitative computing to modern biological challenges. Whether you are a bioinformatician expanding your toolkit into computer-aided drug design (CADD), a chemist looking to automate structural analysis, or a software engineer transitioning into life sciences data architectures, this guide delivers the clear, code-first perspective required to build robust computational pipelines.Master the tools shaping the future of molecular discovery, and harness Python to streamline the pathway from structural data to therapeutic lead.…

Zustand: New. In English.

Taschenbuch. Zustand: Neu. Druck auf Anfrage Neuware - Printed after ordering - The Ernst Schering Research Foundation sponsored its 15th workshop in Berlin on October 19-21, 1994. Leading scientists from Europe and North America were invited to discuss computer-aided drug design in industrial research. Computer-aided drug design is a very exciting field and an intellec tual challenge, like playing chess. But these reasons are no longer suf ficient to justify using this method in industry, if they ever were. Fig. 1. The participants of the workshop VI Preface Therefore, when we, together with Prof. Hoyer, started to think about this workshop, our intentions quickly became clear. We were not so much interested in the very latest developments of methods or in computer-aided drug design itself - enough conferences have dealt with these topics. However, we were very interested in the usefulness and limitations of computer-aided drug design in the indu strial research process. A lot has changed in the pharmaceutical industry recently. These changes are gaining momentum, so it is the right time to think about the role of computer-aided drug design in this changing environment.…

Zustand: New.

Zustand: New. In English.

Paperback. Zustand: Brand New. 146 pages. 9.25x6.25x0.50 inches. In Stock.

Buch. Zustand: Neu. Neuware - Drug discovery is undergoing a fundamental shift from empirical experimentation to precise, data-driven design powered by computational science. Computer-Aided Drug Design presents a structured and application-focused approach to modern drug development, integrating core concepts with advanced computational methodologies.The book systematically covers key domains including QSAR modeling, molecular modeling, docking, virtual screening, bioinformatics, and chemoinformatics. The content is enriched with more than 90 illustrations that present concepts with clear visual support.Emphasizing mechanistic understanding and workflow integration, the text connects molecular-level interactions with data-driven decision-making, enabling readers to understand not only how methods work but why they are applied.Each topic is presented with clarity and technical depth, reflecting current industry practices and research standards.Designed for students of B.Pharm, M.Pharm, and Pharm.D, as well as researchers and professionals, this book serves as a reliable guide for mastering computational strategies in drug discovery. It stands as a practical and forward-looking resource for those seeking to engage with the evolving landscape of rational drug design.…

Taschenbuch. Zustand: Neu. COMPUTER AIDED DRUG DESIGN AND PHARMACOKINETICS PROFILING | AGAINST COVID-19 USING VIRTUAL SCREENING METHOD | Sayra Akter Lia | Taschenbuch | Englisch | 2026 | LAP LAMBERT Academic Publishing | EAN 9786209879081 | Verantwortliche Person für die EU: SIA OmniScriptum Publishing, Brivibas Gatve 197, 1039 RIGA, LETTLAND, customerservice[at]vdm-vsg[dot]de | Anbieter: preigu.…

Zustand: New. Aman Thakur, Govt. of Rajasthan Vineet Mehta, Priyanka Nagu, GCP, Rohru Kiran Goutam, Shri Haridatt College of Pharmacy, India.Computer-Aided Drug Design (CADD) is a comprehensive gui.