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We are excited to announce a forthcoming edited volume:
"Molecular Dynamics Simulations in Biology: Foundations, Applications, and the Machine Learning Revolution"
Editors:
Amit Chaudhary, University of Alabama at Birmingham, USA
Dr. Ashutosh Mani, Associate Professor, NIT Prayagraj, India
We invite authors to contribute chapters exploring the intersection of molecular dynamics (MD) simulations and machine learning (ML) in biological research. This book aims to serve as a comprehensive resource highlighting foundational methods, innovative applications, and emerging trends.
Chapters already assigned:
1, 5, 6, 8, 9, 11.
Few chapters left. Hurry up!!
Suggested Chapter Topics:
1. Introduction to Molecular Dynamics Simulations
2. Fundamentals of Molecular Dynamics in Biology
3. Key Biological Applications of MD (Protein folding, ligand binding, membrane dynamics)
4. Limitations and Challenges in Classical MD
5. Introduction to Machine Learning in Molecular Simulations
6. Machine Learning Force Fields: Principles and Implementation
7. ML-Driven Enhanced Sampling and Dimensionality Reduction
8. Case Studies: ML-Accelerated Drug Discovery and Protein Engineering
9. Data Management and Analysis in MD Simulations
10. Future Directions: Integrating AI, Quantum Methods, and MD
11. Tools, Resources, and Getting Started
Key Dates:
????? Abstract Submission Deadline: 20 June 2025
????? Acceptance Notification: 25 June 2025
????? Full Chapter Submission: 1 October 2025
How to Contribute:
Please send your chapter proposal/abstract (max 500 words) to benthmasciencebook[at]gmail.com
We look forward to your valuable contributions to this timely and impactful volume!
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