Satoru G Itoh

Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles.

Yuko Okamoto, Hisashi Okumura, Y. Okamoto, 2007, The Journal of chemical physics.

Dimerization process of amyloid-β(29-42) studied by the Hamiltonian replica-permutation molecular dynamics simulations.

Hisashi Okumura, H. Okumura, S. Itoh, 2014, The journal of physical chemistry. B.

Transformation of a design peptide between the α-helix and β-hairpin structures using a helix-strand replica-exchange molecular dynamics simulation.

Hisashi Okumura, H. Okumura, S. Itoh, 2013, Physical chemistry chemical physics : PCCP.

pH replica‐exchange method based on discrete protonation states

Bernard R Brooks, Ana Damjanović, B. Brooks, 2011, Proteins.

Replica-Permutation Method with the Suwa-Todo Algorithm beyond the Replica-Exchange Method.

Hisashi Okumura, H. Okumura, S. Itoh, 2012, Journal of chemical theory and computation.

Replica-exchange method in van der Waals radius space: overcoming steric restrictions for biomolecules.

Yuko Okamoto, Hisashi Okumura, Y. Okamoto, 2009, The Journal of chemical physics.

Theoretical studies of transition states by the multioverlap molecular dynamics methods.

Yuko Okamoto, Y. Okamoto, S. Itoh, 2006, The Journal of chemical physics.

Decomposition-order effects of time integrator on ensemble averages for the Nosé-Hoover thermostat.

Tetsuya Morishita, Hisashi Okumura, H. Okumura, 2013, The Journal of chemical physics.