格子モデルを用いたタンパク質凝集のシミュレーション
2
0
0
全文
(2) Vol.2014-BIO-40 No.6 2014/12/18. ሗฎ⌮Ꮫ◊✲ሗ࿌ IPSJ SIG Technical Report. 3. ⤖ᯝ 3.1 ⃰ᗘࠊ ᗘࡼࡿኚ ྛ⃰ᗘࠊ ᗘ࡛ࡢࢩ࣑࣮ࣗࣞࢩࣙࣥࡢ⤖ᯝࢆ♧ࡍࠋィ⟬ ࡣ࢚ࢿࣝࢠ࣮ࡀᖹ⾮㐩ࡍࡿࡲ࡛⾜ࡗ࡚࠾ࡾࠊྠ᮲௳࡛ 3 ᅇ⾜ࡗࡓࡁࡢᖹᆒ್ࢆ⟬ฟࡋࡓࠋࡲࡎࠊ⢏Ꮚࡈࡢ⛣ື ࡢ⤖ᯝࢆ♧ࡍ㸦ᅗ 2㸧ࠋ⢏Ꮚࡈࡢ⛣ື࡛ࡣࠊ ᗘࡼࡿࣔ ࣀ࣐࣮⋡ࡢኚࡀࡁࡃࠊ ᗘࡢపୗ㸦㏫ ᗘࡢୖ᪼㸧 క࠸ࣔࣀ࣐࣮⋡ࡶపୗࡋࡓࠋࡲࡓࠊ⃰ᗘࡀ㧗ࡃ࡞ࡿࡑࡢ ศࣔࣀ࣐࣮⋡ࡢపୗࡶࡁࡃ࡞ࡗࡓࠋ. 3.2 ⢏Ꮚࡢ⛣ື᪉ἲࡼࡿኚ ⢏Ꮚࡢ⛣ື᪉ἲࡼࡗ࡚ࠊᙧᡂࡉࢀࡓจ㞟యࡢࢧࢬࡀ ࡁࡃ␗࡞ࡗࡓࠋ⃰ᗘ 0.5%ࠊ㏫ ᗘ 0.05 ࡛ࡢ᭱⤊≧ែࡢ ᖹᆒࢡࣛࢫࢱࢧࢬࡣࠊ⢏Ꮚࡈࡢ⛣ື࡛ࡣ 11.7ࠊࢡࣛࢫ ࢱࡈࡢ⛣ື࡛ࡣ 76.0 ࡞ࡗࡓࠋࡇࢀࡣࠊࢡࣛࢫࢱࡈ ࡢ⛣ືࡢሙྜࡣࢡࣛࢫࢱࡢゎ㞳ࡀ㉳ࡇࡽ࡞࠸ࡓࡵ࡛࠶ࡿࠋ 3.3 ィ⟬㏿ᗘ ᮏᡭἲ࡛ࡣࠊ2.13 GHz ࡢ CPU 1 ࢥࢆ⏝࠸ィ⟬ࢆ⾜ࡗ ࡓࠋࡍ࡚ࡢィ⟬᮲௳ࡢ࠺ࡕࠊ⢏Ꮚࡈࡢ⛣ື࡛ࡣ᭱▷ 16 ⛊ࠊ᭱㛗 14 ศࠊࢡࣛࢫࢱࡈࡢ⛣ື࡛ࡣ᭱▷ 50 ⛊ࠊ᭱ 㛗 97 ศ࡛࠶ࡗࡓࠋィ⟬㛫ࡣ⣔ࡢ୰Ꮡᅾࡍࡿ⢏Ꮚᩘࡢ ቑຍక࠸ቑຍࡍࡿࠋࢡࣛࢫࢱࡈࡢ⛣ືࡢሙྜࡣྛࢫࢸ ࢵࣉ࡛ࢡࣛࢫࢱࡢุᐃࢆ⾜࠺ࡓࡵࠊ⃰ᗘࡢ㧗࠸⣔࡛ࡣ≉ ィ⟬㛫ࡀ㛗ࡗࡓࠋࡋࡋࠊࡑࡢࡢจ㞟ࡢ᱁Ꮚࣔࢹࣝ ࢩ࣑࣮ࣗࣞࢩࣙࣥࡢィ⟬㛫ࡣ 1~20 㛫࡛࠶ࡿࡇ ࡽࠊᮏᡭἲࡀẚ㍑ⓗ㧗㏿࡞ࢩ࣑࣮ࣗࣞࢩ࡛ࣙࣥ࠶ࡿࡇࡀ ࢃࡿ [4]ࠋ. 4. ࠾ࢃࡾ ᱁Ꮚࣔࢹ࣓ࣝࢺ࣏ࣟࣜࢫἲࢆ⏝࠸ࡓ㧗㏿࡞จ㞟ࢩ࣑ࣗ ᅗ 2 ᗘࡼࡿࣔࣀ࣐࣮⋡ࡢኚ㸦⢏Ꮚࡈ㸧 ḟࠊࢡࣛࢫࢱࡈࡢ⛣ືࡢ⤖ᯝࢆ♧ࡍࠋᅗ 2 ྠᵝࡢ ⃰ᗘࠊ ᗘࡢ᮲௳࡛ࠊࢡࣛࢫࢱࡈࡢ⛣ືࢆ⏝࠸࡚ィ⟬ࢆ ⾜ࡗࡓࠋࡓࡔࡋࠊࢩ࣑࣮ࣗࣞࢩࣙࣥࡢࢫࢸࢵࣉᩘࡣ 20,000 ᅛᐃࡋࡓࠋྛ᮲௳࡛ᅄ㔞య௨ୖࡢ࢜ࣜࢦ࣐࣮ࢆᙧᡂࡋ࡚ ࠸ࡿࢡࣛࢫࢱࡢྜࢆ⟬ฟࡋࡓ㸦ᅗ 3㸧ࠋ⦪㍈ࡣ࢜ࣜࢦ࣐࣮ ᒓࡍࡿ⢏Ꮚࡢྜ࡛࠶ࡿࠋࢡࣛࢫࢱࡈࡢ⛣ືࡢሙྜ ࡣࠊ⢏Ꮚࡈࡢ⛣ືࡢሙྜ␗࡞ࡾ ᗘࡼࡿኚࡀ ࢇぢࡽࢀ࡞ࡗࡓࠋࡲࡓࠊ⃰ᗘ 0.1% 㛵ࡋ࡚ࡣ⢏Ꮚᩘ ࡀᑡ࡞࠸ࡓࡵ࢜ࣜࢦ࣐࣮⋡ࡢㄗᕪࡀࡁࡃ࡞ࡗ࡚࠸ࡿࡀࠊ ⃰ᗘࡀୖࡀࡿࡇ࡛࢜ࣜࢦ࣐࣮ࡀቑ࠼࡚࠸ࡿࡇࡀࢃࡿࠋ. ࣮ࣞࢩࣙࣥࢆ㛤Ⓨࡋࡓࠋࡲࡓࠊ ᗘࠊ⃰ᗘࠊ⢏Ꮚࡢ⛣ືἲ ࡼࡾࣔࣀ࣐࣮ᩘࡸจ㞟యࡢࢧࢬ㐪࠸ࡀ࠶ࡿࡇࡀࢃ ࡗࡓࠋ⌧Ⅼ࡛ࡣࡇࢀࡽࡢ⤖ᯝࠊ⌧ᐇࡢࢱࣥࣃࢡ㉁ࡢ 㛫ࡢ┦㐪Ⅼ࡞ࡘ࠸࡚㆟ㄽࠊ᳨ドࡀ༑ศ࡞ࡓࡵࠊᚋ ࡣࡑࡢⅬࢆ㋃ࡲ࠼࡚ࢩ࣑࣮ࣗࣞࢩࣙࣥࡢᨵⰋࢆ⾜࠺ࡘࡶࡾ ࡛࠶ࡿࠋ. ཧ⪃ᩥ⊩ [1]. Gsponer, Jörg, Urs Haberthür, and Amedeo Caflisch. "The. role of side-chain interactions in the early steps of aggregation: Molecular dynamics simulations of an amyloid-forming peptide from the yeast prion Sup35." Proceedings of the National Academy of Sciences 100.9 (2003): 5154-5159. [2]. Nguyen, Hung D., and Carol K. Hall. "Molecular. dynamics simulations of spontaneous fibril formation by randomcoil peptides." Proceedings of the National Academy of Sciences of the United States of America 101.46 (2004): 16180-16185. [3]. Abeln, Sanne, and Daan Frenkel. "Accounting for Protein-. Solvent Contacts Facilitates Design of Nonaggregating Lattice Proteins." Biophysical journal 100.3 (2011): 693-700. [4]. Abeln, Sanne, et al. "A Simple Lattice Model That. Captures Protein Folding, Aggregation and Amyloid Formation." PloS one 9.1 (2014): e85185. ᅗ 3 ᗘࡼࡿࣔࣀ࣐࣮⋡ࡢኚ㸦ࢡࣛࢫࢱࡈ㸧. [5]. Gharibi, Hussein, et al. "Mixed micellization of gemini. and conventional surfactant in aqueous solution: A lattice Monte Carlo simulation." Journal of Molecular Graphics and Modelling 53 (2014): 221-227.. ⓒ 2014 Information Processing Society of Japan. 2.
(3)
関連したドキュメント
pole placement, condition number, perturbation theory, Jordan form, explicit formulas, Cauchy matrix, Vandermonde matrix, stabilization, feedback gain, distance to
Answering a question of de la Harpe and Bridson in the Kourovka Notebook, we build the explicit embeddings of the additive group of rational numbers Q in a finitely generated group
The main problem upon which most of the geometric topology is based is that of classifying and comparing the various supplementary structures that can be imposed on a
Then it follows immediately from a suitable version of “Hensel’s Lemma” [cf., e.g., the argument of [4], Lemma 2.1] that S may be obtained, as the notation suggests, as the m A
In our previous paper [Ban1], we explicitly calculated the p-adic polylogarithm sheaf on the projective line minus three points, and calculated its specializa- tions to the d-th
Applications of msets in Logic Programming languages is found to over- come “computational inefficiency” inherent in otherwise situation, especially in solving a sweep of
Our method of proof can also be used to recover the rational homotopy of L K(2) S 0 as well as the chromatic splitting conjecture at primes p > 3 [16]; we only need to use the
Shi, “The essential norm of a composition operator on the Bloch space in polydiscs,” Chinese Journal of Contemporary Mathematics, vol. Chen, “Weighted composition operators from Fp,
