OpenQuantumInstitute/Ghana-team-5

Qualaria reduces deaths by accelerating the identification of potential ligands for the dominat strain of malaria # Qualaria Quantum Leap Against Malaria > AIMS Quantum Computing Hackathon 2025 ## Project Overview Qualaria is a quantum computing-based solution to accelerate the discovery of new antimalarial drugs. It is a platform that allows researchers to quickly and efficiently predict most stable ligands for the PFEMP1 protein, which is a protein that is essential for the malaria parasite to survive. ## Project Structure We download the PFEMP1 protein structure from the AlphaFold database. ### 1. Pockets Prediction We use the fpocket package to predict the pockets of the PFEMP1 protein. ### 2. Ligands Prediction We use the Pocket2Mol package to predict the ligands for the pockets. ### 3. Ligands stability prediction With VQE, we predict the stability of each ligand and select the 5 most stable ligands. ### 4. Ligands-Pockets binding stability Then, we calculated the binding stability of the ligands to the pockets to select the most stable ligand. ## Resources - AlphaFold - fpocket - Pocket2Mol - Example Pocket2Mol - VQE - Qiskit Nature ## License MIT ## Team Members - Astride Melvin Fokam Ninyim - Augustina Agyeman - Dorcas Seshie - Ndam Abibou - Prince Dorcis ## Acknowledgments Our mentors: - Eunice Gandote - Chantelle Amoako-Atta - Atadana Sogodam ## Contacts - Astride Melvin Fokam Ninyim - Augustina Agyeman - Dorcas Seshie - Abibou Ndam - Prince Dorcis - Eunice Gandote - Chantelle Amoako-Atta - Atadana Sogodam