Fukunishi Y - Search Results

1

Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method.

Nguyen H, Tran T, Fukunishi Y, Higo J, Nakamura H, Le L. Nguyen H, et al. Among authors: fukunishi y. J Chem Inf Model. 2015 Sep 28;55(9):1936-43. doi: 10.1021/acs.jcim.5b00319. Epub 2015 Sep 8. J Chem Inf Model. 2015. PMID: 26247106

2

Dynamical origin of uniform sampling in multicanonical ensemble.

Kim JG, Fukunishi Y, Nakamura H. Kim JG, et al. Among authors: fukunishi y. Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Jan;67(1 Pt 1):011105. doi: 10.1103/PhysRevE.67.011105. Epub 2003 Jan 29. Phys Rev E Stat Nonlin Soft Matter Phys. 2003. PMID: 12636489

3

Determination of multicanonical weight based on a stochastic model of sampling dynamics.

Gil Kim J, Fukunishi Y, Kidera A, Nakamura H. Gil Kim J, et al. Among authors: fukunishi y. Phys Rev E Stat Nonlin Soft Matter Phys. 2003 Aug;68(2 Pt 1):021110. doi: 10.1103/PhysRevE.68.021110. Epub 2003 Aug 26. Phys Rev E Stat Nonlin Soft Matter Phys. 2003. PMID: 14524956

4

Stochastic formulation of sampling dynamics in generalized ensemble methods.

Kim JG, Fukunishi Y, Kidera A, Nakamura H. Kim JG, et al. Among authors: fukunishi y. Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Feb;69(2 Pt 1):021101. doi: 10.1103/PhysRevE.69.021101. Epub 2004 Feb 10. Phys Rev E Stat Nonlin Soft Matter Phys. 2004. PMID: 14995421

5

Dynamical origin of enhanced conformational searches of Tsallis statistics sampling.

Kim JG, Fukunishi Y, Nakamura H. Kim JG, et al. Among authors: fukunishi y. J Chem Phys. 2004 Jul 15;121(3):1626-35. doi: 10.1063/1.1763841. J Chem Phys. 2004. PMID: 15260711

6

Modelling of third cytoplasmic loop of bovine rhodopsin by multicanonical molecular dynamics.

Watanabe YS, Fukunishi Y, Nakamura H. Watanabe YS, et al. Among authors: fukunishi y. J Mol Graph Model. 2004 Sep;23(1):59-68. doi: 10.1016/j.jmgm.2004.04.001. J Mol Graph Model. 2004. PMID: 15331054

7

Generalized simulated tempering realized on expanded ensembles of non-Boltzmann weights.

Kim JG, Fukunishi Y, Kidera A, Nakamura H. Kim JG, et al. Among authors: fukunishi y. J Chem Phys. 2004 Sep 22;121(12):5590-601. doi: 10.1063/1.1786578. J Chem Phys. 2004. PMID: 15366981

8

A hybrid method of molecular dynamics and harmonic dynamics for docking of flexible ligand to flexible receptor.

Tatsumi R, Fukunishi Y, Nakamura H. Tatsumi R, et al. Among authors: fukunishi y. J Comput Chem. 2004 Dec;25(16):1995-2005. doi: 10.1002/jcc.20133. J Comput Chem. 2004. PMID: 15473011

9

Multicanonical molecular dynamics algorithm employing an adaptive force-biased iteration scheme.

Kim JG, Fukunishi Y, Nakamura H. Kim JG, et al. Among authors: fukunishi y. Phys Rev E Stat Nonlin Soft Matter Phys. 2004 Nov;70(5 Pt 2):057103. doi: 10.1103/PhysRevE.70.057103. Epub 2004 Nov 17. Phys Rev E Stat Nonlin Soft Matter Phys. 2004. PMID: 15600799

10

Fukunishi Y, Mikami Y, Nakamura H. Fukunishi Y, et al. J Mol Graph Model. 2005 Sep;24(1):34-45. doi: 10.1016/j.jmgm.2005.04.004. J Mol Graph Model. 2005. PMID: 15950507

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