About this Research Topic
We are now entering the third decade of the 21st Century, and, especially in the last years, the achievements made by scientists have been exceptional, leading to major advancements in the fast-growing field of theoretical modeling, structure prediction and design.
Frontiers has organized a series of Research Topics to highlight the latest advancements in research across the field of Chemical Biology, with articles from the members of our accomplished Editorial Boards and from authors recommended by our Editorial Boards. This editorial initiative of particular relevance, led by: Prof. Andrea Ilari, Specialty Chief Editors of the Theoretical Modeling, Structure Prediction and Design section, is focused on new insights, novel developments, current challenges, latest discoveries, recent advances, and future perspectives in the field of theoretical modeling, structure prediction and design.
The Research Topic solicits brief, forward-looking contributions from the editorial board members and their recommendations that describe the state of the art, outlining recent developments and major accomplishments that have been achieved and that need to occur to move the field forward. Authors are encouraged to identify the greatest challenges in the sub-disciplines, and how to address those challenges.
In particular, we will focussed in the recent advance, concerning macromolecules structure-function relationships studies carried out with both experimental and computational methods. Papers describing investigations on molecular structures, folding, design, evolution, interactions and structure based drug design of small molecules are welcomed.
The goal of this special edition Research Topic is to shed light on the progress made in the past decade in the theoretical modeling, structure prediction and design field, and on its future challenges to provide a thorough overview of the field. This article collection will inspire, inform and provide direction and guidance to researchers in the field.
Frontiers has organized a series of Research Topics to highlight the latest advancements in research across the field of Chemical Biology, with articles from the members of our accomplished Editorial Boards and from authors recommended by our Editorial Boards. This editorial initiative of particular relevance, led by: Prof. Andrea Ilari, Specialty Chief Editors of the Theoretical Modeling, Structure Prediction and Design section, is focused on new insights, novel developments, current challenges, latest discoveries, recent advances, and future perspectives in the field of theoretical modeling, structure prediction and design.
The Research Topic solicits brief, forward-looking contributions from the editorial board members and their recommendations that describe the state of the art, outlining recent developments and major accomplishments that have been achieved and that need to occur to move the field forward. Authors are encouraged to identify the greatest challenges in the sub-disciplines, and how to address those challenges.
In particular, we will focussed in the recent advance, concerning macromolecules structure-function relationships studies carried out with both experimental and computational methods. Papers describing investigations on molecular structures, folding, design, evolution, interactions and structure based drug design of small molecules are welcomed.
The goal of this special edition Research Topic is to shed light on the progress made in the past decade in the theoretical modeling, structure prediction and design field, and on its future challenges to provide a thorough overview of the field. This article collection will inspire, inform and provide direction and guidance to researchers in the field.
Keywords: Theoretical Modeling, Structure Prediction, Structure Design
Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.
