Molecular Modeling: Latest Advances and Applications

Dear Colleagues,

Recent advances in computational power, algorithmic efficiency, and interdisciplinary collaborations have led to significant breakthroughs in molecular modeling. The goal of this Special Issue is to highlight the state-of-the-art research in molecular modeling and its applications in a variety of fields, including new material development and pharmaceuticals. The contributions in this Special Issue highlight the critical role that molecular modeling plays in deepening our understanding of complex molecular systems by examining fresh approaches, theoretical discoveries, and practical applications of this field. This Special Issue offers an overview of current trends, difficulties, and future directions in molecular modeling, offering insightful viewpoints for researchers, practitioners, and educators alike.

Dr. Maria Alexandra Mernea
Prof. Dr. Dan Mihailescu
Guest Editors

Manuscript Submission Information

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• molecular modeling
• computational chemistry
• drug design
• material science
• biomolecular interactions
• algorithmic advances
• theoretical chemistry
• simulation techniques
• predictive modeling
• interdisciplinary applications