相关实验视频

Updated: Feb 3, 2026

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis
08:49

Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis

Published on: June 20, 2025

1.2K

作为潜在的双重目标抗药物,Bacopa monnieri衍生化合物的基于结构的计算评估:一个集成的对接和分子动力学模拟方法

Uttara Bakshi1, Ashis Datta1

  • 1Institute of Neurosciences Kolkata, Kolkata, India.

Journal of molecular graphics & modelling
|February 1, 2026
PubMed
概括

巴科帕蒙尼耶里化合物显示出作为治疗的双重抑制剂的潜力. 计算分析表明,Ebelin Lactone和Jujubogenin可能通过准Synaptic Vesicle Protein 2A和Carbonic Anhydrase II来提高疗效.

关键词:
接收人 接收人抗发作药物 抗发作药物有约束力的自由能源.碳酸无水酶是一种碳酸无水酶.双重抑制是一种双重抑制.是一种病.印度药用植物 印度药用植物分子对接是分子对接.分子动力学分子动力学在SV2A中,它是SV2A.

更多相关视频

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation15:05

Deciphering the Structural Effects of Activating EGFR Somatic Mutations with Molecular Dynamics Simulation

Published on: May 20, 2020

9.3K
Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid08:54

Vibrational Spectra of a N719-Chromophore/Titania Interface from Empirical-Potential Molecular-Dynamics Simulation, Solvated by a Room Temperature Ionic Liquid

Published on: January 25, 2020

6.0K

相关概念视频

Lewis Structures of Molecular Compounds and Polyatomic Ions02:54

Lewis Structures of Molecular Compounds and Polyatomic Ions

To draw Lewis structures for complicated molecules and molecular ions, it is helpful to follow a step-by-step procedure as outlined:
45.3K
Molecular Compounds: Formulas and Nomenclature03:10

Molecular Compounds: Formulas and Nomenclature

Molecular compounds or covalent compounds result when atoms share electrons to form covalent bonds. Since there is no electron transfer, molecular compounds do not contain ions; instead, they consist of discrete, neutral molecules. 
55.8K
Acid Strength and Molecular Structure03:05

Acid Strength and Molecular Structure

Binary Acids and Bases
In the absence of any leveling effect, the acid strength of binary compounds of hydrogen with nonmetals (A) increases as the H-A bond strength decreases down a group in the periodic table. For group 17, the order of increasing acidity is HF < HCl < HBr < HI. Likewise, for group 16, the order of increasing acid strength is H2O < H2S < H2Se < H2Te. Across a row in the periodic table, the acid strength of binary hydrogen compounds increases with increasing...
33.1K
Molecular Structure and Acidity02:34

Molecular Structure and Acidity

An acid can be deprotonated to form a conjugate base or an anion. If the produced anion is more stable, then the acid is stronger. On the contrary, if the anion is unstable, then the acid is weaker. Hence, to determine the acidity of the compound, the stability of its conjugate base is studied using various factors.
The size effect explains the change in atomic size on acidity. When comparing the acids formed from elements that belong to the same column in the periodic table, their atomic sizes...
20.9K
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.
43.7K
Classification of Elements and Compounds02:54

Classification of Elements and Compounds

Pure substances consist of only one type of matter. A pure substance can be an element or a compound. An element consists of only one type of atom, while a compound consists of two or more types of atoms held together by a chemical bond. Elements are classified as atomic or molecular based on the nature of their basic units.
Compounds are pure substances composed of two or more elements in fixed, definite proportions. Compounds are classified as ionic or molecular (covalent) based on the bonds...
73.2K