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Computational tools for chemical biology / edited by Sonsoles Martín-Santamaría, Center for Biological Research, CIB-CSIC, Madrid-Spain.

By: Contributor(s): Material type: TextTextSeries: Publication details: UK; The Royal Society of Chemistry; 2018.Description: xiv, 377 pages : illustrations (some color)ISBN:
  • 9781782627005 (hbk.)
  • 1782627006 (hbk.)
Subject(s): DDC classification:
  • 572.0285 SAN
Contents:
Computational chemistry and molecular modelling basics -- Molecular dynamics computer simulations of biological systems -- Designing chemical tools with computational chemistry -- Computational design of protein function -- Computational enzymology : modelling biological catalysts -- Computational chemistry tools in glycobiology : modelling of carbohydrate-protein interaction -- Molecular modelling of nucleic acids -- Uncovering GPCR and G protein function by protein structure network analysis -- Current challenges in the computational modelling of molecular recognition processes -- Novel insights into membrane transport from computational methodologies -- Application of molecular modelling to speed up the lead discovery process -- Molecular modelling and simulations applied to challenging drug discovery targets -- The polypharmacology gap between chemical biology and drug discovery.
Summary: This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.--
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Holdings
Item type Current library Home library Call number Status Date due Barcode
Book Book Dept. of Bio-Technology General Stacks Dept. of Bio-Technology 572.0285 SAN (Browse shelf(Opens below)) Available BTY3181

Includes bibliographical references and index.

Computational chemistry and molecular modelling basics -- Molecular dynamics computer simulations of biological systems -- Designing chemical tools with computational chemistry -- Computational design of protein function -- Computational enzymology : modelling biological catalysts -- Computational chemistry tools in glycobiology : modelling of carbohydrate-protein interaction -- Molecular modelling of nucleic acids -- Uncovering GPCR and G protein function by protein structure network analysis -- Current challenges in the computational modelling of molecular recognition processes -- Novel insights into membrane transport from computational methodologies -- Application of molecular modelling to speed up the lead discovery process -- Molecular modelling and simulations applied to challenging drug discovery targets -- The polypharmacology gap between chemical biology and drug discovery.

This book offers a fresh perspective on how computational tools can aid the chemical biology research community and drive new research.--

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