Cantitate/Preț
Produs
Total produse
Vezi coșul
Quantum Mechanics in Drug Discovery de Alexander Heifetz

Quantum Mechanics in Drug Discovery: Methods in Molecular Biology, cartea 2114

Editat de Alexander Heifetz
en Limba Engleză Hardback – 4 feb 2020
This volume looks at applications of quantum mechanical (QM) methods in drug discovery. The chapters in this book describe how QM approaches can be applied to address key drug discovery issues, such as characterizing protein-water-ligand and protein-protein interactions, providing estimates of binding affinities, determining ligand energies and bioactive conformations, refinement of molecular geometries, scoring docked protein–ligand poses, describing molecular similarity, structure–activity-relationship (SAR) analysis, and ADMET prediction. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. 

Cutting-edge and unique, Quantum Mechanics in Drug Discovery is a valuable resourcefor structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.
Citește tot Restrânge

Toate formatele și edițiile

Toate formatele și edițiile Preț Express
Paperback (1) 68838 lei  39-44 zile
  Springer Us – 4 feb 2021 68838 lei  39-44 zile
Hardback (1) 105021 lei  39-44 zile
  Springer Us – 4 feb 2020 105021 lei  39-44 zile

Din seria Methods in Molecular Biology

  • 60% Nucleic Acid and Peptide Aptamers: Methods and Protocols
    Preț: 34795 lei
  • 23% Pheromone Signaling: Methods and Protocols
    Preț: 59856 lei
  • Engineering and Analyzing Multicellular Systems: Methods and Protocols
    Preț: 49679 lei
  • 20% Clinical Bioinformatics
    Preț: 88295 lei
  • Mitochondrial Regulation: Methods and Protocols
    Preț: 25204 lei
  • 5% Multiple Sclerosis: Methods and Protocols
    Preț: 71488 lei
  • 5% Bacterial Persistence: Methods and Protocols
    Preț: 71665 lei
  • 5% DNA-Protein Interactions: Principles and Protocols
    Preț: 72633 lei
  • 5% Methods in Mouse Atherosclerosis
    Preț: 73206 lei
  • 15% Cell Cycle Oscillators: Methods and Protocols
    Preț: 65004 lei
  • 18% TGF-β Signaling: Methods and Protocols
    Preț: 100455 lei
  • 5% Whole Genome Amplification: Methods and Protocols
    Preț: 71971 lei
  • 18% Patient-Specific Induced Pluripotent Stem Cell Models: Generation and Characterization
    Preț: 89567 lei
  • 15% Phospho-Proteomics: Methods and Protocols
    Preț: 65117 lei
  • 15% Candida Species: Methods and Protocols
    Preț: 64089 lei
  • 18% Induced Pluripotent Stem (iPS) Cells: Methods and Protocols
    Preț: 138603 lei
  • 5% Post-Transcriptional Gene Regulation
    Preț: 72759 lei
  • 20% In Vitro Embryogenesis in Higher Plants
    Preț: 82163 lei
  • 18% Yeast Functional Genomics: Methods and Protocols
    Preț: 95259 lei
  • 15% Statistical Analysis in Proteomics
    Preț: 64715 lei
  • 5% SiRNA Delivery Methods: Methods and Protocols
    Preț: 72348 lei
  • 18% Estrogen Receptors: Methods and Protocols
    Preț: 96497 lei
  • 5% Suppression and Regulation of Immune Responses: Methods and Protocols, Volume II
    Preț: 71846 lei
  • Plant Bioinformatics: Methods and Protocols
    Preț: 39258 lei
  • 5% Breast Cancer: Methods and Protocols
    Preț: 73117 lei
  • 18% Endocannabinoid Signaling: Methods and Protocols
    Preț: 94315 lei
  • 23% Zebrafish: Methods and Protocols
    Preț: 86021 lei
  • 15% Activity-Based Proteomics: Methods and Protocols
    Preț: 63944 lei
  • 5% Drug Target miRNA: Methods and Protocols
    Preț: 103411 lei
  • 23% Computational Protein Design
    Preț: 88385 lei
  • SH2 Domains: Methods and Protocols
    Preț: 79216 lei
  • Cholesterol Homeostasis: Methods and Protocols
    Preț: 42362 lei
  • 5% The Immune Synapse: Methods and Protocols
    Preț: 42591 lei
  • Organ Regeneration: 3D Stem Cell Culture & Manipulation
    Preț: 59220 lei
  • 5% Innate Antiviral Immunity: Methods and Protocols
    Preț: 34562 lei
  • 19% Protein Engineering: Methods and Protocols
    Preț: 49188 lei
  • 5% Innate Immune Activation: Methods and Protocols
    Preț: 103884 lei
  • 5% Investigations of Early Nutrition Effects on Long-Term Health: Methods and Applications
    Preț: 52415 lei
  • 18% Planarian Regeneration: Methods and Protocols
    Preț: 207922 lei
  • 5% Epitope Mapping Protocols
    Preț: 127289 lei
  • Tissue Proteomics: Methods and Protocols
    Preț: 78993 lei
  • 5% Genetic Epidemiology: Methods and Protocols
    Preț: 133910 lei
  • 18% Plant Chemical Genomics: Methods and Protocols
    Preț: 136207 lei
  • 5% Lung Innate Immunity and Inflammation: Methods and Protocols
    Preț: 75266 lei
  • 5% Rational Drug Design: Methods and Protocols
    Preț: 37489 lei
  • 18% Microbiome Analysis: Methods and Protocols
    Preț: 136731 lei
  • 18% Computational Methods in Protein Evolution
    Preț: 110674 lei
  • 18% Electrophoretic Separation of Proteins: Methods and Protocols
    Preț: 137969 lei
  • 18% Microbial Metabolomics: Methods and Protocols
    Preț: 110211 lei
  • 18% SNAREs: Methods and Protocols
    Preț: 94669 lei

Preț: 105021 lei

Preț vechi: 136391 lei
-23% Nou

Puncte Express: 1575
Preț estimativ în valută:
20105€ • 20898$ • 16669£

Carte tipărită la comandă

Livrare economică 03-08 februarie 25

 Adaugă în coș

Wish list
Gift list
Am citit!
Adaugă în listă
Preluare comenzi: 021 569.72.76

Specificații

ISBN-13: 9781071602812
ISBN-10: 1071602810
Pagini: 360
Ilustrații: X, 360 p. 150 illus., 117 illus. in color.
Dimensiuni: 178 x 254 mm
Greutate: 0.86 kg
Ediția:1st ed. 2020
Editura: Springer Us
Colecția Humana
Seria Methods in Molecular Biology

Locul publicării:New York, NY, United States

Cuprins

Current and Future Challenges in Modern Drug Discovery.- QM Implementation in Drug Design: Does It Really Help?.- Guiding Medicinal Chemistry with Fragment Molecular Orbital (FMO) Method.- Analyzing Interactions with the Fragment Molecular Orbital Method.- Underappreciated Chemical Interactions in Protein-Ligand Complexes.- Geometry Optimization, Transition State Search, and Reaction Path Mapping Accomplished with the Fragment Molecular Orbital Method.- Taking Water into Account with the Fragment Molecular Orbital Method.- Computational Methods for Biochemical Simulations Implemented in GAMESS.- QM in Seconds with the Fragment Molecular Orbital and Density-Functional Tight-Binding Methods.- Protein Molecular Dynamics Simulations with Approximate QM: What Can We Learn?.- Analyzing GPCR-Ligand Interactions with the Fragment Molecular Orbital (FMO) Method.- Characterizing Rhodopsin-Arrestin Interactions with the Fragment Molecular Orbital (FMO) Method.- Characterizing Protein-Protein Interactions with the Fragment Molecular Orbital Method.- Conformational Searching with Quantum Mechanics.- User-Friendly Quantum Mechanics: Applications for Drug Discovery.- Binding Free Energy Calculation Using Quantum Mechanics Aimed for Drug Lead Optimization.- Molecular Docking Using Quantum Mechanical-Based Methods.- QM Calculations in ADMET Prediction.- Design and SAR Analysis of Covalent Inhibitors Driven by Hybrid QM/MM Simulations.- What’s Next for Quantum Mechanics in Structure-Based Drug Discovery?.

Textul de pe ultima copertă

This volume looks at applications of quantum mechanical (QM) methods in drug discovery. The chapters in this book describe how QM approaches can be applied to address key drug discovery issues, such as characterizing protein-water-ligand and protein-protein interactions, providing estimates of binding affinities, determining ligand energies and bioactive conformations, refinement of molecular geometries, scoring docked protein–ligand poses, describing molecular similarity, structure–activity-relationship (SAR) analysis, and ADMET prediction. Written in the highly successful Methods in Molecular Biology series format, chapters include introductions to their respective topics, lists of the necessary software and tools, step-by-step, readily reproducible modeling protocols, and tips on troubleshooting and avoiding known pitfalls. 

Cutting-edge and unique, Quantum Mechanics in Drug Discovery is a valuable resourcefor structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

Caracteristici

Includes cutting-edge techniques Provides step-by-step detail for reproducible results Contains key implementation advice from the experts