Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Structure and dynamics in drug discovery.

npj drug discovery·2026
Same author

Deep-Penetrating Transdermal Lipopeptide Liposomes for Sustained IL-17 Inhibition and Prevention of Psoriatic Recurrence.

Journal of the American Chemical Society·2026
Same author

Association between lumbar vertebral body bone quality and cranial/caudal endplate bone quality with intervertebral disc degeneration: a retrospective study of 2018 patients.

Journal of orthopaedic surgery and research·2026
Same author

Injectable hydrogel delivers targeted DEPTOR release, delaying intervertebral disc degeneration via inhibiting mTORC1 and further activating the PI3K/Akt pathway.

Biomaterials advances·2026
Same author

AmberTorchPB: A Unified Framework for Poisson-Boltzmann-Based Reaction Field Energy Calculation via Tensor Computation.

Journal of chemical theory and computation·2026
Same author

Enhanced Sampling on Domain/Motif Level with Kinetic Accelerated Molecular Dynamics.

Journal of chemical information and modeling·2026
Same journal

Electronegative, Transparent, and Flexible Triboelectric Electrodes via Three-Dimensionally Stacked Interconnect Structure with Cross-Interface Electron Transport.

The journal of physical chemistry letters·2026
Same journal

Effects of Ether Bonds on Liquid-Liquid Transitions in Quaternary Ammonium and Phosphonium Ionic Liquids under High Pressure.

The journal of physical chemistry letters·2026
Same journal

Origins of Size-Dependent Kinetics in Microdroplets.

The journal of physical chemistry letters·2026
Same journal

Iso-Potential <i>Operando</i> Coupling of XRD and a Profile Reactor: Structural Insights into ZnPd/ZnO during Methanol Steam Reforming.

The journal of physical chemistry letters·2026
Same journal

Formation of Methanol Clathrate Hydrate in Simulated Interstellar Ices.

The journal of physical chemistry letters·2026
Same journal

Suppressing Residual Low-Dimensional Phases in Bromide Perovskite LEDs Using a Dimethyl Phosphate Ionic Liquid.

The journal of physical chemistry letters·2026
查看所有相关文章

相关实验视频

Updated: Jul 15, 2025

A Method for 3D Reconstruction and Virtual Reality Analysis of Glial and Neuronal Cells
12:49

A Method for 3D Reconstruction and Virtual Reality Analysis of Glial and Neuronal Cells

Published on: September 28, 2019

12.8K

网格-坚固的高效神经接口模型,用于从点云构建通用分子表面.

Yongxian Wu1, Haixin Wei2, Qiang Zhu1

  • 1Departments of Chemical and Biomolecular Engineering, Molecular Biology and Biochemistry, Materials Science and Engineering, and Biomedical Engineering, University of California, Irvine, California 92697, United States.

The journal of physical chemistry letters
|October 2, 2023
PubMed
概括
此摘要是机器生成的。

我们开发了GENIUSES,这是一个用于分子表面的神经网络框架. 这种高效的模型显著加快了无溶剂表面 (SES) 的计算速度,有助于药物查.

更多相关视频

Targeting Neuronal Fiber Tracts for Deep Brain Stimulation Therapy Using Interactive, Patient-Specific Models
14:14

Targeting Neuronal Fiber Tracts for Deep Brain Stimulation Therapy Using Interactive, Patient-Specific Models

Published on: August 12, 2018

8.9K
Design, Surface Treatment, Cellular Plating, and Culturing of Modular Neuronal Networks Composed of Functionally Inter-connected Circuits
10:32

Design, Surface Treatment, Cellular Plating, and Culturing of Modular Neuronal Networks Composed of Functionally Inter-connected Circuits

Published on: April 15, 2015

8.5K

相关实验视频

Last Updated: Jul 15, 2025

A Method for 3D Reconstruction and Virtual Reality Analysis of Glial and Neuronal Cells
12:49

A Method for 3D Reconstruction and Virtual Reality Analysis of Glial and Neuronal Cells

Published on: September 28, 2019

12.8K
Targeting Neuronal Fiber Tracts for Deep Brain Stimulation Therapy Using Interactive, Patient-Specific Models
14:14

Targeting Neuronal Fiber Tracts for Deep Brain Stimulation Therapy Using Interactive, Patient-Specific Models

Published on: August 12, 2018

8.9K
Design, Surface Treatment, Cellular Plating, and Culturing of Modular Neuronal Networks Composed of Functionally Inter-connected Circuits
10:32

Design, Surface Treatment, Cellular Plating, and Culturing of Modular Neuronal Networks Composed of Functionally Inter-connected Circuits

Published on: April 15, 2015

8.5K

科学领域:

  • 计算化学是一种计算化学.
  • 分子建模分子建模
  • 生物信息学是一种生物信息学.

背景情况:

  • 分子表面对于理解生物复杂性质和功能至关重要.
  • 现有的分子表面计算方法由于手工设计而面临效率挑战.

研究的目的:

  • 用神经网络构建分子表面的通用,高效的框架.
  • 开发GENIUSES模型,用于计算除溶剂表面 (SES).

主要方法:

  • 一个新的框架,结合了点云概念和神经网络.
  • 利用矩阵乘法实现跨平台的高效实施.
  • 开发了GENIUSES (通用无溶剂表面的高效神经接口) 模型.

主要成果:

  • 杰尼乌斯在各种分子构造中表现出高精度和高效率.
  • 与AMBER在GPU上的经典SES实现相比,实现了26倍的加速度.
  • 模型显示了对网格间距变化的稳定性.

结论:

  • 在有效的分子表面计算中,GENIUSES框架提供了显著的进步.
  • 整合到AMBER中可以提高对药物查和相关研究的可访问性.
  • 这种方法为大规模分子系统带来了更大的加速.