Hatice Gökcan

机构：Carnegie Mellon University · ORCID：0000-0002-0112-5679

发表论文 43 篇 · 总被引 386 次 · h-index 10

代表论文

• Learning molecular potentials with neural networks (2021 · Wiley Interdisciplinary Reviews Computational Molecular Science · 被引 60)
• Prediction of protein p K a with representation learning (2022 · Chemical Science · 被引 59)
• Scalable hybrid deep neural networks/polarizable potentials biomolecular simulations including long-range effects (2023 · Chemical Science · 被引 46)
• A community effort in SARS‐CoV‐2 drug discovery (2023 · Molecular Informatics · 被引 19)
• Machine learning interatomic potentials at the centennial crossroads of quantum mechanics (2025 · Nature Computational Science · 被引 12)
• AQuaRef: machine learning accelerated quantum refinement of protein structures (2025 · Nature Communications · 被引 11)