A Combined Molecular Dynamics and Hydropathic INTeraction (HINT) Approach to Investigate Protein Flexibility: The PPARγ Case Study

A Combined Molecular Dynamics and Hydropathic INTeraction (HINT) Approach to Investigate Protein Flexibility: The PPARγ Case Study

Molecular Dynamics (MD) is a computational technique widely used to evaluate a molecular system’s thermodynamic properties and conformational behavior over time. In particular, the energy analysis of a protein conformation ensemble produced though MD simulations plays a crucial role in explaining th...

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Bibliographic Details
Main Authors: Federica Agosta, Pietro Cozzini
Format: Article
Language:English
Published: MDPI AG 2024-05-01
Series:Molecules
Subjects:
Molecular Dynamics
HINT force field
PPARγ
conformational analysis
mechanism of action
Online Access:https://www.mdpi.com/1420-3049/29/10/2234

Internet

https://www.mdpi.com/1420-3049/29/10/2234

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