Advanced search×

Computer code: a model journal.

Nature 468(7320):37 (2010) PMID 21048749

DOI: 10.1038/468037c
Version: za2963e q8za3 q8zb5 q8zc5 q8zd9 q8zed q8zfd q8zg7

Similar articles you may find interesting…

  1. Molecular Dynamics Simulation and Computational Two-dimensional Infrared Spectroscopic Study of Model Amyloid ß-peptide Oligomers.

    J Phys Chem A (2013) PMID 23641734

    Our simulation results indicated that the stable Aβ40 monomer was a random coil, while the oligomer structures became more fibril-like with the increase of the peptide strands. Linear absorption and two-dimensional infrared spectra of the isotope-labeled oligomers were calculated and analyzed in de...
  2. Fast and accurate generation of ab initio quality atomic charges using nonparametric statistical regression.

    J Comput Chem (2013) PMID 23653432

    We introduce a class of partial atomic charge assignment method that provides ab initio quality description of the electrostatics of bioorganic molecules. The method uses a set of models that neither have a fixed functional form nor require a fixed set of parameters, and therefore are capable of cap...
  3. Probing the Physical Determinants of Thermal Expansion of Folded Proteins.

    J Phys Chem B (2013) PMID 23646824

    The magnitude and sign of the volume change upon protein unfolding are strongly dependent on temperature. This temperature dependence reflects differences in the thermal expansivity of the folded and unfolded states. The factors that determine protein molar expansivities and the larg...