All Stories

  1. What are the Sites Water Occupies at the Interface of a Phospholipid Membrane? †

    Article • The Journal of Physical Chemistry, April 2009, American Chemical Society (ACS)

    Dr Yuji Takaoka

  2. ChemInform Abstract: Synthesis and Structure-Activity Relationships of Potent 1-(2-Substituted-aminoacetyl)-4-fluoro-2-cyanopyrrolidine Dipeptidyl Peptidase IV Inhibitors.

    Article • ChemInform, January 2009, Wiley

    Dr Yuji Takaoka

  3. Hydration of phospholipid interface: carbonyl–water hydrogen bond association

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Dr Yuji Takaoka

  4. Synthesis and Structure–Activity Relationships of Potent 1-(2-Substituted-aminoacetyl)-4-fluoro-2-cyanopyrrolidine Dipeptidyl Peptidase IV Inhibitors

    Article • Chemical and Pharmaceutical Bulletin, January 2008, Pharmaceutical Society of Japan

    Dr Yuji Takaoka

  5. Hydration and Hydrogen Bonding of Carbonyls in Dimyristoyl-Phosphatidylcholine Bilayer

    Article • Journal of the American Chemical Society, July 2006, American Chemical Society (ACS)

    Dr Yuji Takaoka

  6. Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in which Compounds Are Assigned Scores Based on Chemists′ Intuition.

    Article • ChemInform, October 2003, Wiley

    Dr Yuji Takaoka

  7. Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition

    Article • Journal of Chemical Information and Computer Sciences, July 2003, American Chemical Society (ACS)

    Dr Yuji Takaoka

  8. Effects of Phospholipid Unsaturation on the Membrane/Water Interface: A Molecular Simulation Study

    Article • Biophysical Journal, July 2001, Elsevier

    Dr Yuji Takaoka

  9. Fast Lipid Disorientation at the Onset of Membrane Fusion Revealed by Molecular Dynamics Simulations

    Article • Biophysical Journal, July 2001, Elsevier

    Dr Yuji Takaoka

  10. Molecular Dynamics Generation of Nonarbitrary Membrane Models Reveals Lipid Orientational Correlations

    Article • Biophysical Journal, December 2000, Elsevier

    Dr Yuji Takaoka

  11. Molecular Dynamics Simulations of Bovine Cathepsin B and Its Complex with CA074.

    Article • Chemical and Pharmaceutical Bulletin, January 2000, Pharmaceutical Society of Japan

    Dr Yuji Takaoka

  12. Charge Pairing of Headgroups in Phosphatidylcholine Membranes: A Molecular Dynamics Simulation Study

    Article • Biophysical Journal, March 1999, Elsevier

    Dr Yuji Takaoka

  13. Molecular dynamics simulation of phospholipid bilayer membrane

    Article • Fluid Phase Equilibria, February 1998, Elsevier

    Dr Yuji Takaoka

  14. Hydrogen Bonding of Water to Phosphatidylcholine in the Membrane As Studied by a Molecular Dynamics Simulation:  Location, Geometry, and Lipid−Lipid Bridging via Hydrogen-Bonded Water

    Article • The Journal of Physical Chemistry A, May 1997, American Chemical Society (ACS)

    Dr Yuji Takaoka

  15. Liquid–vapor interface of water–methanol mixture. I. Computer simulation

    Article • The Journal of Chemical Physics, January 1993, American Institute of Physics

    Dr Yuji Takaoka