Desenvolvimento e implantação de uma plataforma web para predição de interações atômicas de estruturas tridimensionais de proteínas com o uso do ysera

Abstract

The development of a platform capable of identifying, quantifying, and qualifying molecular interactions is essential for studying and predicting protein molecular interactions, which is an important tool for drug development, agrochemicals, and various other areas of biology. The objective of this work is to implement a web platform for predicting atomic interactions of three-dimensional protein structures using the Ysera predictor. The developed platform allows users to access the predictor online without the need to install the software on their computers. Furthermore, the platform has been designed to offer a user-friendly and intuitive interface, allowing users to submit protein structures in PDB format and obtain prediction results easily and quickly. The thesis provides a detailed description of the entire platform development process, from the selection of technologies used to the implementation of functionalities. It also discusses the challenges encountered during development and the solutions adopted to overcome them. Finally, the results obtained from the platform deployment are presented, and future prospects for its improvement are discussed. Thus, this project contributes to the advancement and democratization of scientific knowledge, delivering a simple, intuitive, and easily accessible platform.