SAAP Force Field Technology Project


About SAAP force field

  • M. Iwaoka, S. Tomoda, 'The SAAP Force Field. A Simple Approach to a New All-Atom Protein Force Field by Using Single Amino Acid Potential (SAAP) Functions in Various Solvents.' J. Comput. Chem., 2003, 24, 1192-1200.

  • M. Iwaoka, N. Kimura, D. Yosida, T. Minezaki, 'The SAAP Force Field. Development of the Single Amino Acid Potentials for Twenty Proteinogenic Amino Acids and Monte Carlo Molecular Simulation for Short Peptides.' J. Comput. Chem., 2009, 30, 2039-2055.

  • M. Iwaoka, T. Suzuki, Y. Shoji, K. Dedachi, T. Shimosato, T. Minezaki, H. Hojo, H. Onuki, H. Hirota, 'Development of SAAP3D Force Field and the Application to Replica-Exchange Monte Carlo Simulation for Chignolin and C-Peptide.' J. Comput. Aided Mol. Design, 2017, 31, 1039-1052.

  • M. Iwaoka, K. Yoshida, T. Shimosato, 'Application of a Distance-Dependent Sigmoidal Dielectric Constant to the REMC/SAAP3D Simulations of Chignolin, Trp-Cage, and the G10q Mutant.' The Protein J, 2020, 39, 402-410.

  • Related articles

  • M. Iwaoka, D. Yosida, N. Kimura, 'Importance of the Single Amino Acid Potential in Water for Secondary and Tertiary Structures of Proteins.' J. Phys. Chem. B, 2006, 110, 14475-14482.

  • K. Dedachi, T. Shimosato, T. Minezaki, M. Iwaoka, 'Toward Structure Prediction for Short Peptides Using the Improved SAAP Force Field Parameters.' J. Chem., 2013, Article ID 407862, 13 pages.

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