PD-1 Targeted Antibody Discovery Using AI Protein Diffusion

How-to guides and AMD/ROCm optimization recipes for open AI-for-science models.

가톨릭대학교 의과대학 약리학교실, Department of Pharmacology, College of Medicine http://pharmacology.catholic.ac.kr

Generate AI research papers on antimicrobial peptides (AMPs) using SakanaAI/AI-Scientist-v2

Source-only stiffness-structured flow matching for 3D molecular conformer generation based on ET-Flow

GRAVITy is an automated pipeline that streamlines molecular dynamics (MD) simulations. It allows users to simulate protein efficiently. It automates tasks like protein preparation, running simulations with GROMACS, and error handling, saving time and ensuring smooth execution.

Bio

An introductory script on how to combine ligands and DNA quadruplexes for gromacs workflow. More reference is available in the tutorials by Professor Justin A. Lemkul