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CafeMol

CafeMol is a general-purpose coarse- grained(CG) biomolecular modeling and simulation software.It can simulate proteins,nucleic acids,lipids and their mixture with various CG models.

http://www.cafemol.org/

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CafeMol is a general-purpose coarse- grained(CG) biomolecular modeling and simulation software.It can simulate proteins,nucleic acids,lipids and their mixture with various CG models.
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CafeMol | cafemol.org Reviews

https://cafemol.org

CafeMol is a general-purpose coarse- grained(CG) biomolecular modeling and simulation software.It can simulate proteins,nucleic acids,lipids and their mixture with various CG models.

INTERNAL PAGES

cafemol.org cafemol.org
1

CafeMol

http://www.cafemol.org/index.php

Coarse-grained biomolecular simulation software for proteins, nucleic acids, and membrane. CafeMol is a general-purpose coarse-grained(CG) biomolecular modeling and simulation software.It can simulate proteins,nucleic acids,lipids and their mixture with various CG models. We plan to release CafeMol version 3.0 near the end of August (. CafeMol 2.1 has been released. The manual has also been updated. We are glad to announce the release of CafeMol 2.0. We apologize for the one-month delay.).

2

CafeMol

http://www.cafemol.org/download.php

Coarse-grained biomolecular simulation software for proteins, nucleic acids, and membrane. How to obtain CafeMol. The CafeMol is available to anyone "as is" in the form of source codes. For obtaining CafeMol, please read the following license agreement, and enter your name and E-mail address. Any published work which utilizes CafeMol should include the citation " CafeMol. A coarse-grained biomolecular simulator for simulating proteins at work. H. Kenzaki, N. Koga, N. Hori, R. Kanada, ...Targz / 4.4MB).

3

CafeMol

http://www.cafemol.org/doc.php

Coarse-grained biomolecular simulation software for proteins, nucleic acids, and membrane. Manual for CafeMol 2.1. Manual for CafeMol 2.0. Manual for CafeMol 1.0. Kenzaki, H., Koga, N., Hori, N., Kanada, R., Li, WF., Okazaki, K., Yao, XQ., Takada, S. CafeMol: A Coarse-Grained Biomolecular Simulator for Simulating Proteins at Work. Journal of Chemical Theory and Computation. 2011) 7(6), pp 1979-1989.

4

CafeMol

http://www.cafemol.org/ack.php

Coarse-grained biomolecular simulation software for proteins, nucleic acids, and membrane. CafeMol is based on an earlier CG protein simulator CaFold developed for Go-model folding and functional simulation mostly coded by Nobuyasu Koga. CafeMol contains a set of IO utility subroutines, UTILKOTO, coded by Shigeru Obara.

5

CafeMol

http://www.cafemol.org/link.php

Coarse-grained biomolecular simulation software for proteins, nucleic acids, and membrane. The Development of the Next-Generation Supercomputer. Computational Science Research Program. Graduate School of Science.

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theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

高田研究室 募集

http://theory.biophys.kyoto-u.ac.jp/recruit.php

Dept Biophysics, Div. Biol. Graduate School of Science. メール takada (at mark) biophys.kyoto-u.ac.jp. 高田研究室(http:/ theory.biophys.kyoto-u.ac.jp)では、生体分子のマルチスケールシミュレーション法の開発とそれによる高次生命現象の研究を実施しています。 給与は 350,000円/月以上 京都大学の規定に基づく。 応募書類は、履歴書、業績リスト、これまでの研究概要 A4 1枚程度 、意見を伺える方2名の氏名と連絡先を記載し、電子メールで送付ください。 メール takada (at mark) biophys.kyoto-u.ac.jp. Original design by G. Wolfgang. W3C XHTML 1.0. W3C CSS 2.0.

theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

Takada Lab, download

http://theory.biophys.kyoto-u.ac.jp/download.php

Dept Biophysics, Div. Biol. Graduate School of Science. Protein folding of src SH3 domain by a Go model. A cooperative and reversible folding-unfolding trajectory of src SH3 domain simulated by a C-alpha Go model. (Koga and Takada JMB 2001). Download the movie ( 11MB). Protein folding of fibronectin type III by a Go model. A single folding event of fibronectin type III simulated by a C-alpha Go model. (Koga and Takada JMB 2001). Download the movie ( 9.6MB). Monte Carlo simulation for structure prediction.

theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

高田研究室のメンバー

http://theory.biophys.kyoto-u.ac.jp/people.php

Dept Biophysics, Div. Biol. Graduate School of Science. Shoji Takada, Professor (高田 彰二 教授). Le Chang, PD (常 楽 博士研究員). Cheng Tan, PD (譚 丞 博士研究員). Teruko Suzuki, Secretary (鈴木 晃子 秘書). Mashiho Ito, D (伊藤 真志保). Mami Saito, D (齋藤 真美). Koji Ono, D (小野 晃司). Masahiro Shimizu, D (清水 将裕). Shintaro Kubo, M (久保 進太郎). Kazushi Mochizuki, M (望月 一志). Suguru Kato, M (加藤 傑). Toru Niina, M (新稲 亮). Manami Ikeda, B (池田 麻奈美). Hana Slevin, B (スレヴィン大浜 華). Yoshitomo Nakanishi, B (中西 良友). Yutaka Murata, B (村田 隆). W3C XHTML 1.0.

theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

高田研究室の代表論文

http://theory.biophys.kyoto-u.ac.jp/publication_selected.php

Dept Biophysics, Div. Biol. Graduate School of Science. 前者の動き回る様子は、Terakawa et al JACS 2012で報告し 図の左 、後者の応答エレメントを見つける様子を本論文で報告しました 図の右。 H Kenzaki, N. Koga, N. Hori, R. Kanada, W. Li, K. Okazaki, X. Yao, and S. Takada , CafeMol: A coarse-grained biomolecular simulator for simulating proteins at work, J. Chem. Theory Comp., 7: 1979-1989, 2011. Okazaki et al 2006で提案した粗視化モデル 多谷モデルを拡張したシミュレーション技法で、誘導適合vs population-shiftの問題を調べたのがこの論文です。 これ、理由 種明かし を読むと、自然というか、もっと言えば当たり前というか、そんな印象を受けるかもしれません そんな感想を何回か聞きました。

theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

高田研究室

http://theory.biophys.kyoto-u.ac.jp/index.php

Dept Biophysics, Div. Biol. Graduate School of Science. CafeMol ver 2.0公開. CafeMol ver 1.0公開. 教科書 タンパク質の立体構造入門 共同執筆 を出版しました。 Original design by G. Wolfgang. W3C XHTML 1.0. W3C CSS 2.0.

theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

高田研究室 アクセス

http://theory.biophys.kyoto-u.ac.jp/access.php

Dept Biophysics, Div. Biol. Graduate School of Science. Mail: takada (at mark) biophys.kyoto-u.ac.jp. Kitashirakawa-Oiwakecho, Sakyo, Kyoto, 6068502. Dept Biophysics, Div Biology, Grad School Science, Kyoto University. Room: Science building 1, room 205. Mail: takada (at mark) biophys.kyoto-u.ac.jp. Original design by G. Wolfgang. W3C XHTML 1.0. W3C CSS 2.0.

theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

高田研究室 論文リスト

http://theory.biophys.kyoto-u.ac.jp/publication.php

Dept Biophysics, Div. Biol. Graduate School of Science. Shoji Takada, Ryo Kanada, Cheng Tan, Tsuyoshi Terakawa, Wenfei Li, and Hiroo Kenzaki, Modeling Structural Dynamics of Biomolecular Complexes by Coarse-Grained Molecular Simulations. Accounts of Chemical Research. 3026-3035 DOI: 10.1021/acs.accounts.5b00338, 2015 [Link]. Tsuyoshi Terakawa and Shoji Takada, p53 dynamics upon response element recognition explored by molecular simulations. 17107 doi:10.1038/srep17107, 2015 [Link]. 212404, 2015 [Link].

hpc.unt.edu hpc.unt.edu

Software | UIT High-Performance Computing

http://hpc.unt.edu/software

Skip to main content. The following are codes that have been built and are maintained by the HPC Team. There is an RSS Feed available at https:/ hpc.unt.edu/softwareupdate. That will update anytime software is either added or updated on Talon2. If you would like to request a software program that is not listed below, please fill out our Software Request Form at https:/ hpc.unt.edu/software-requests. Filter by Research Area. Amber14 cuda-parallel, parallel, series. Tue, 2017-02-28 11:08. The Basic Local A...

theory.biophys.kyoto-u.ac.jp theory.biophys.kyoto-u.ac.jp

Takada Lab

http://theory.biophys.kyoto-u.ac.jp/index_e.php

Dept Biophysics, Div. Biol. Graduate School of Science. Our goal is to understand diverse biological phenomena from physical aspect at molecular level. For the purpose, we are using theoretical and molecular simulation approaches. Open PostDoc positions (Unavailable). CafeMol ver 2.0 release. We finally release CafeMol version 2.0. CafeMol ver 1.0 release. We finally release CafeMol version 1.0. CafeMol is the coarse-grained biomolecular simulation software that we have been developing. Conformational ch...

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CafeMol

Coarse-grained biomolecular simulation software for proteins, nucleic acids, and membrane. CafeMol is a general-purpose coarse-grained(CG) biomolecular modeling and simulation software.It can simulate proteins,nucleic acids,lipids and their mixture with various CG models. CG to AA reconstruction tool for DNA (2017/09/06). We have a new tool to reconstruct atomistic structure from coarse-grained structure for DNA! Please download and try it! We are glad to announce the release of CafeMol 3.0!

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