CHAPERONg: A tool for automated GROMACS-based molecular dynamics simulations and trajectory analyses
Abeeb Abiodun Yekeen, Olanrewaju Ayodeji Durojaye, Mukhtar Oluwaseun Idris, Hamdalat Folake Muritala, Rotimi Olusanya Arise
CHAPERONg automates GROMACS MD simulations and analyses for proteins and protein-ligand systems, streamlining workflows for both beginners and experts.
Computational and Structural Biotechnology Journal · Jan 1, 2023Peer-reviewedBioinformatics