相关实验视频

Updated: Jan 20, 2026

Predicting Reaction Outcomes: Collision Theory
02:24

Predicting Reaction Outcomes: Collision Theory

10.3K

约束质量,而不是数量,预测了-蛋白对接结果

Miriam Gulman1,2, Jordan Chill1, Dan Thomas Major1,2

  • 1Department of Chemistry, Bar-Ilan University, Ramat-Gan 52900, Israel.

Journal of chemical information and modeling
|January 18, 2026
PubMed
概括

一个新的评分功能和最小限制策略改善了蛋白质-质结构预测. 这种方法可以提高模型的准确性,特别是在数据有限的场景中,通过智能地选择关键的限制因素来对接.

更多相关视频

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions06:50

Author Spotlight: A Computational Approach to Decipher Amino Acid Preferences in Multispecific Protein-Protein Interactions

Published on: January 26, 2024

2.5K
Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA10:21

Author Spotlight: Streamlining Protein Target Prediction and Validation via Molecular Docking and CETSA

Published on: February 23, 2024

3.7K

相关概念视频

Predicting Reaction Outcomes02:24

Predicting Reaction Outcomes

Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...
10.3K
Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions06:50

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions

We describe a methodology based on sequence diversification to estimate the amino acid preferences of multispecific binding sites in protein-protein interactions (PPIs). In this strategy, thousands of potential peptide ligands are generated and screened in silico, thus overcoming some limitations of available experimental...
2.5K
Protein Target Prediction and Validation of Small Molecule Compound10:21

Protein Target Prediction and Validation of Small Molecule Compound

The experiment used here shows a method of molecular docking combined with cellular thermal shift assay to predict and validate the interaction between small molecules and protein...
3.7K
A Protocol for Computer-Based Protein Structure and Function Prediction16:41

A Protocol for Computer-Based Protein Structure and Function Prediction

Guidelines for computer based structural and functional characterization of protein using the I-TASSER pipeline is described. Starting from query protein sequence, 3D models are generated using multiple threading alignments and iterative structural assembly simulations. Functional inferences are thereafter drawn based on matches to proteins with known structure and...
69.7K
Incorporating Target Protein Structure Flexibility and Dynamics in Computational Drug Discovery Using Ensemble-Based Docking Analysis08:49

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

Computational methods hold promises for expediting drug discovery, yet they frequently overlook the dynamic nature of protein structures. Here, we discuss ensemble-based docking analysis to indirectly incorporate protein flexibility, potentially improving the accuracy and reliability of drug discovery...
1.1K
Rapid Assessment of Membrane Protein Quality by Fluorescent Size Exclusion Chromatography06:26

Rapid Assessment of Membrane Protein Quality by Fluorescent Size Exclusion Chromatography

The present protocol describes a procedure to perform fluorescent size exclusion chromatography (FSEC) on membrane proteins to assess their quality for downstream functional and structural analysis. Representative FSEC results collected for several G-protein coupled receptors (GPCRs) under detergent-solubilized and detergent-free conditions are...
3.9K