Computational tools for chemical biology

Author(s)

    • Martin-Santamaria, Sonsoles

Bibliographic Information

Computational tools for chemical biology

edited by Sonsoles Martín-Santamaría

(Chemical biology, no. 3)

Royal Society of Chemistry, c2018

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Note

Includes bibliographical references and index(p. [371]-377)

Contents of Works

  • 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 interactions
  • 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

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