関連する実験動画

Updated: May 6, 2026

Interactive Molecular Model Assembly with 3D Printing
06:15

Interactive Molecular Model Assembly with 3D Printing

Published on: August 13, 2020

11.7K

PocketXMolと原子相互作用による3D分子生成の統一モデリング

Xingang Peng1, Ruihan Guo2, Fenglin Guo3

  • 1Institute for Artificial Intelligence, Peking University, Beijing 100871, China; School of Intelligence Science and Technology, Peking University, Beijing 100871, China; Earendil Labs, County of New Castle, Wilmington, DE 19801, USA.

Cell
|February 19, 2026
PubMed
まとめ

PocketXMolは,タンパク質ポケットの相互作用のための生成的なタスクを統一する薬剤発見のための新しいAIモデルです. 小分子やペプチドの設計に優れているため,治療開発の大きな可能性を示しています.

キーワード:
原子レベルの相互作用です.ドラッグデザイン ドラッグデザインファンデーションモデルのモデルです.ジェネラティブモデルのモデル分子ドッキングドッキングです.分子相互作用である分子相互作用.分子構造の予測を予測するペプチドのデザインタンパク質ポケット ポケット統一されたAIモデル

さらに関連する動画

Modeling an Enzyme Active Site using Molecular Visualization Freeware14:37

Modeling an Enzyme Active Site using Molecular Visualization Freeware

Published on: December 25, 2021

11.6K
Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps09:30

Author Spotlight: Exploring Cellular Processes by Modeling Ligands in Cryo-EM Maps

Published on: July 19, 2024

2.9K

関連する概念動画

Molecular Shapes01:18

Molecular Shapes

Molecules have characteristic shapes that are crucial for their function. The arrangement of various electron groups around the central atom dictates their molecular geometry. Electron pairs in the valence shell of a central atom will adopt an arrangement that minimizes repulsions between the electron pairs by maximizing the distance between them. The valence electrons form either bonding pairs, located primarily between bonded atoms, or lone pairs.
Two regions of electron density in a diatomic...
53.5K
Molecular Models02:00

Molecular Models

Physical models representing molecular architectures of chemical compounds play essential roles in understanding chemistry. The use of molecular models makes it easier to visualize the structures and shapes of atoms and molecules.
37.5K
Predicting Molecular Geometry02:27

Predicting Molecular Geometry

VSEPR Theory for Determination of Electron Pair Geometries
36.0K
Molecular Orbital Theory I02:35

Molecular Orbital Theory I

Overview of Molecular Orbital Theory
39.8K
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
13.6K
Newman Projections02:06

Newman Projections

Different notations are used to represent the three-dimensional structure of molecules on two-dimensional surfaces. One of the most commonly used representations is the dash-wedge formula. The dashed wedges, solid wedges, and the plane lines indicate the groups situated behind the plane, coming out of the plane, and in the plane, respectively.
The organic molecules rotate across the single bonds leading to numerous temporary three-dimensional structures of varying energy known as...
17.0K