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Computer Assisted Modeling Contributions of Computational Approaches to Elucidating Macromolecular Structure and Function (1987) / Chapter Skim
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References
Pages 160-176

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From page 160...
... 1986. Pattern matching applications in protein secondary structure.
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From page 161...
... 1987. Free energy calculations by computer simulation.
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From page 162...
... 1986. Conformational energy calculations and proton Nuclear Overhauser Enhancements reveal a unique conformation for blood group A oligosaccharides.
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From page 163...
... 1982. Combined-information protein structure refinement: Potential energy-constrained real-space method for refinement with limited diffraction data.
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From page 164...
... 1986. Improved free energy parameters for prediction of RNA duplex stability.
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From page 165...
... Effect of hydration on the conformational stability of the terminally blocked residues of the 20 naturally occurring amino acids. Biopolymers 18:1565-1610.
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From page 166...
... 1987. Local structural features around the c-terminal segment of Streptomyoca subtilisin inhibitor studied by carbonyl carbon nuclear magnetic resonances of three phenylalanyl residues.
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From page 167...
... 1985. A protein structure from nuclear magnetic resonance data.
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From page 168...
... 1981. NMR relaxation parameters in molecules with internal motion: Exact Langevin trajectory results compared with simplified relaxation models.
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From page 169...
... ~Y`~. ~ moue~ ~or It'yur~blul1 V1 peptides and its application to the conformational analysis of terminally blocked amino acids and dipeptides.
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From page 170...
... II. Some relations between polypeptide chain configuration and amino acid sequence.
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From page 171...
... 1986. Integral equation model for aqueous salvation of polyatomic solutes: Application to the determination of the free energy surface for the internal motion of biomolecules.
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From page 172...
... 1987. An approach to the application of free energy perturbation methods using molecular dynamics: Applications to the transformation of CH3 OH ~ CH3 CH3, H3O+_NH4+ Gly~Ala, Ala~Phe in Aqueous Solution and to H3O~ (H2O)
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From page 173...
... 1984. Computer simulations as a tool for tracing the conformational differences between proteins in solution and in the crystalline state.
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From page 174...
... 1986. A molecular dynamics computer simulation of an eight base pair DNA fragment in aqueous solution: Comparison with experimental two-dimensional NMR data.
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From page 175...
... lg86. Eluc~lon of glycollpld structure ~ proton nuclear =sgnetlc resource spectroscopy.
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Key Terms

  • protein structure
  • computer simulation
  • nuclear magnetic
  • free energy
  • nucleic acids

  • monte carlo
  • conformational analysis
  • secondary structure
  • drug design
  • van gunsteren

  • protein folding
  • energy calculations
  • dynamics simulation
  • solution conformation
  • acetylcholine receptor

  • carlo simulation
  • terminally blocked
  • amino acid
  • polypeptide chain
  • distance geometry

  • molecular mechanics
  • proton nuclear
  • nmr studies
  • protein conformation
  • acid sequence

  • subtilisin inhibitor
  • free energies
  • aqueous solution
  • protein structural
  • acs symposium


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