Computational Design of Membrane Proteins

This volume provides an overview of the current successes as well as pitfalls and caveats that are hindering the design of membrane proteins. Divided into six parts, chapters detail membrane transporter, FoldX force field, protein stability, G-Protein Coupled Receptors (GPCR) structures, transmembra...

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Bibliographic Details
Other Authors: Moreira, Irina S. (Editor), Machuqueiro, Miguel (Editor), Mourão, Joana (Editor)
Format: eBook
Language:English
Published: New York, NY Humana 2021, 2021
Edition:1st ed. 2021
Series:Methods in Molecular Biology
Subjects:
Online Access:
Collection: Springer eBooks 2005- - Collection details see MPG.ReNa
Table of Contents:
  • Guardians of the Cell: State-of-the-Art of Membrane Proteins from a Computational Point-of-View
  • Integrating Membrane Transporter Proteins into Droplet Interface Bilayers
  • Membrane Protein Engineering with Rosetta
  • Engineering of Biological Pathways: Complex Formation and Signal Transduction.p Homology Modeling of Class a G-protein-coupled Receptors in the Age of the Structure Boom
  • Interface Prediction for GPCR Oligomerization between Transmembrane Helices
  • Memdock: An α-Helical Membrane Protein Docking Algorithm
  • Identification and Characterization of specific Protein-Lipid Interactions using Molecular Simulation
  • Molecular Dynamics Simulation of Lipid-modified Signaling Proteins
  • In silico Prediction of the Binding, Folding, Insertion, and Overall Stability of Membrane-Active Peptides
  • pKa Calculations in Membrane Proteins from Molecular Dynamics Simulations
  • Poor person’s pH Simulation of Membrane Proteins
  • Preparing and Analyzing Polarizable Molecular Dynamics Simulations with the Classical Drude Oscillator Model
  • In silico Prediction of Permeability Coefficients
  • Identification of Pan Assay INterference compoundS (PAINS) using an MD-Based Protocol
  • Transmembrane Anion Transport Mediated by Halogen Bonds: using Off-Center Charges