Molecular tetris: crowdsourcing molecular docking using path-planning and haptic devices
Molecular tetris: crowdsourcing molecular docking using path-planning and haptic devices
复制标题
分子俄罗斯方块：使用路径规划和触觉设备的众包分子对接
DOI：
10.1145/2668084.2668086
复制
发表时间：
2014
期刊：
影响因子：
--
通讯作者：
Lydia Tapia
中科院分区：
文献类型：
--
作者：
Torin Adamson;J. Baxter;Kasra Manavi;April Suknot;Bruna Jacobson;Patrick Gage Kelley;Lydia Tapia
许多生物过程，包括免疫识别、酶催化和分子信号传导，仍然是生物科学中的一个开放性问题。我们提出分子俄罗斯方块，一个游戏中，玩家可以探索蛋白质受体和配体之间的结合。这种探索类似于俄罗斯方块游戏，原子力指导形状之间的最佳配合。这个游戏将用于众包触觉引导运动规划。触觉触摸设备使用户能够感觉到两个分子的相互作用，因为它们将配体移动到受体上的适当结合位点。我们证明了人类免疫反应的一个关键部分，配体结合主要组织相容性复合物（MHC）分子的方法。通过我们的用户的多次运行，我们构建了一个全球路线图，找到了分子对接位点的低能量路径。这些路径可与由已知束缚态周围的高斯采样产生的高度偏置的路线图相媲美。我们的用户能够通过专门的力反馈设备和商品游戏机控制器找到低能量路径。
Many biological processes, including immune recognition, enzyme catalysis, and molecular signaling, which is still an open problem in biological sciences. We present Molecular Tetris, a game in which a player can explore the binding between a protein receptor and ligand. This exploration is similar to the game Tetris with atomic forces guiding best fits between shapes. This game will be utilized for crowdsourced haptic-guided motion planning. Haptic touch devices enable users to feel the interactions of two molecules as they move the ligand into an appropriate binding site on the receptor. We demonstrate the method on a critical piece of human immune response, ligand binding to a Major Histocompatibility Complex (MHC) molecule. Through multiple runs by our users, we construct a global roadmap that finds low energy paths to molecular docking sites. These paths are comparable to a highly-biased roadmap generated by Gaussian sampling around the known bound state. Our users are able to find low energy paths with both a specialized force-feedback device and a commodity game console controller.
影响因子：
5.6
作者：
KUNTZ, ID;BLANEY, JM;FERRIN, TE
通讯作者：
FERRIN, TE
影响因子：
32.4
作者：
Borbulevych OY;Piepenbrink KH;Gloor BE;Scott DR;Sommese RF;Cole DK;Sewell AK;Baker BM
通讯作者：
Baker BM