DynamiSpectra: A Python Software Package and Web Platform for Molecular Dynamics Data Analysis in Computational Biology

Molecular dynamics (MD) simulations generate extensive data sets that demand reliable and reproducible analysis tools. In this study, we present DynamiSpectra, a Python-based software package and web platform designed to automate the descriptive statistical analysis (mean and standard deviation) and...

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Bibliographic Details
Main Author:	Iverson Conrado Bezerra (19555596) (author)
Other Authors:	Jéssika de Oliveira Viana (22098851) (author), Karen Cacilda Weber (19932883) (author), Priscila Gubert (460963) (author)
Published:	2025
Subjects:	Biophysics Biochemistry Cell Biology Biotechnology Hematology Biological Sciences not elsewhere classified Chemical Sciences not elsewhere classified Information Systems not elsewhere classified thereby promoting accessible secondary structure probability residue distance matrices quality graphical outputs packages often lack ligand occupancy maps https :// pypi generate interactive plots different temperatures illustrates comparative tests performed amyloid peptide simulations online web server principal component analysis descriptive statistical analysis based software package web platform designed https :// github https :// dynamispectra reproducible md analysis reproducible analysis tools python software package web platform platform ’ upload data standard deviation salt bridges results generated psi angles programming expertise producing high present dynamispectra multiple replicas md trajectories main ). including rmsd hydrogen bonds generated files dynamispectra stands dynamispectra /) density within demand reliable
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DynamiSpectra: A Python Software Package and Web Platform for Molecular Dynamics Data Analysis in Computational Biology

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