Developments in molecular docking technologies for application of polysaccharide-based materials: A review.
Crit Rev Food Sci Nutr
; : 1-13, 2023 Apr 19.
Article
en En
| MEDLINE
| ID: mdl-37077154
ABSTRACT
With the increasing pollution of the planet, the search for natural multifunctional alternatives to petroleum-based plastics has assumed to be a great important proposition. Polysaccharides, an inexhaustible natural resource with good biocompatibility as well as mechanical properties, are considered as an ideal alternative to petroleum-based materials. However, blind experimentation and development will inevitably lead to waste of raw materials and contamination of reagents. Therefore, researchers desire a technology which can assist in predicting and screening experimental materials at the higher level. Molecular docking simulations, an emerging computer technology that can effectively predict the structure of interactions between molecules and analyze the optimal conformation, are a common aid for materials and drug design. In this review, we describe the origins and development of molecular docking techniques, mainly performed an overview of various molecular docking software on their applications in the field of different polysaccharide materials.
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1
Colección:
01-internacional
Base de datos:
MEDLINE
Idioma:
En
Revista:
Crit Rev Food Sci Nutr
Asunto de la revista:
CIENCIAS DA NUTRICAO
Año:
2023
Tipo del documento:
Article
País de afiliación:
China