Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning

Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning
Author: Yinglong Miao
Publisher: Frontiers Media SA
Total Pages: 179
Release: 2023-02-24
Genre: Science
ISBN: 2832515126
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Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning
Language: en
Pages: 179

Mechanisms, thermodynamics and kinetics of ligand binding revealed from molecular simulations and machine learning

Authors: Yinglong Miao
Categories: Science
Type: BOOK - Published: 2023-02-24 - Publisher: Frontiers Media SA

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Thermodynamics and Kinetics of Drug Binding
Language: en
Pages: 360

Thermodynamics and Kinetics of Drug Binding

Authors: György Keserü
Categories: Medical
Type: BOOK - Published: 2015-08-17 - Publisher: John Wiley & Sons

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This practical reference for medicinal and pharmaceutical chemists combines the theoretical background with modern methods as well as applications from recent l
Machine Learning in Biomolecular Simulations
Language: en
Pages: 129

Machine Learning in Biomolecular Simulations

Authors: Gennady Verkhivker
Categories:
Type: BOOK - Published: 2019-10-21 - Publisher: Frontiers Media SA

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Machine learning methods such as neural networks, non-linear dimensionality reduction techniques, random forests and others meet in this research topic with bio
Protein-Ligand Interactions
Language: en
Pages: 0

Protein-Ligand Interactions

Authors: Mark A. Williams
Categories: Science
Type: BOOK - Published: 2016-11-17 - Publisher: Humana

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Proteins are the cell’s workers, their messengers and overseers. In these roles, proteins specifically bind small molecules, nucleic acid and other protein pa
Free Energy Calculations
Language: en
Pages: 528

Free Energy Calculations

Authors: Christophe Chipot
Categories: Language Arts & Disciplines
Type: BOOK - Published: 2007-01-08 - Publisher: Springer Science & Business Media

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Free energy constitutes the most important thermodynamic quantity to understand how chemical species recognize each other, associate or react. Examples of probl