Biomolecules' Conformational Changes Studied by Simulations and Enhanced Sampling
portes grátis
Biomolecules' Conformational Changes Studied by Simulations and Enhanced Sampling
Pang, Yui Tik (Andrew)
Springer International Publishing AG
11/2024
97
Dura
9783031706011
Pré-lançamento - envio 15 a 20 dias após a sua edição
Descrição não disponível.
Chapter 1: Introduction and Background.- Chapter 2: Parameterization of a drug molecule with a halogen-hole particle using ffTK: Implementation, testing, and comparison.- Chapter 3: Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding.- Chapter 4: SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact.- Chapter 5: Conclusions and Future Work.
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biomolecular dynamics;conformational flexibility;conformational dynamics of proteins;capsid assembly modulator AT130;passenger domain of pertactin;SARS-CoV-2 spike protein;biological complexity;Force Field Toolkit
Chapter 1: Introduction and Background.- Chapter 2: Parameterization of a drug molecule with a halogen-hole particle using ffTK: Implementation, testing, and comparison.- Chapter 3: Uncovering the folding mechanism of pertactin: A comparative study of isolated and vectorial folding.- Chapter 4: SARS-CoV-2 spike opening dynamics and energetics reveal the individual roles of glycans and their collective impact.- Chapter 5: Conclusions and Future Work.
Este título pertence ao(s) assunto(s) indicados(s). Para ver outros títulos clique no assunto desejado.
