Quantum Mechanics in Drug Discovery (Methods in Molecular Biology, 2114) by Alexander Heifetz (PDF)

Description

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 Discoveryis a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

User’s Reviews

Editorial Reviews: From the Back Cover 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 Discoveryis a valuable resource for structural and molecular biologists, computational and medicinal chemists, pharmacologists, and drug designers.

Keywords

Free Download Quantum Mechanics in Drug Discovery (Methods in Molecular Biology, 2114) in PDF format
Quantum Mechanics in Drug Discovery (Methods in Molecular Biology, 2114) PDF Free Download
Download Quantum Mechanics in Drug Discovery (Methods in Molecular Biology, 2114) 2020 PDF Free
Quantum Mechanics in Drug Discovery (Methods in Molecular Biology, 2114) 2020 PDF Free Download
Download Quantum Mechanics in Drug Discovery (Methods in Molecular Biology, 2114) PDF
Free Download Ebook Quantum Mechanics in Drug Discovery (Methods in Molecular Biology, 2114)