Workshop on the preparation, execution, and analysis of protein molecular dynamics simulations
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Jan 29, 2025 - Jupyter Notebook
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docking-molecular
Here are 5 public repositories matching this topic...
Tool for directed evolution of protein receptors specifically for a ligand of interest ; implementation and fine-tuning of @zaixizhang 's PocketGen focused on maximizing binding affinity.
mutation-testing protein-structure protein docking igem protein-design receptor protein-ligand-interactions igem-competition docking-molecular receptor-ligand-interaction
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Sep 23, 2024 - Python
molecular-modeling molecular-docking medicinal-chemistry docking-molecular modelagem-molecular quimica-medicinal
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Jul 11, 2022 - Python
The One Stop Docking Shop (Coming Feb 2025)
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Dec 11, 2024
Coordenado pelo Prof.º Dr. Kelson Mota Teixeira de Oliveira. Laboratório de Química Teórica e Computacional (LQTC) - Departamento de Química - Instituto de Ciências Exatas (ICE) - Universidade Federal do Amazonas (UFAM)
ufam bioinformatica docking-molecular lqtc-ufam quimica-quantica departamento-de-quimica instituto-ciencias-exatas laboratorio-quimica-teorica-computacional-ufam dinamica-molecular quimica-computacional
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Jul 7, 2023 - HTML
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