Ron O. Dror
- Improved side‐chain torsion potentials for the Amber ff99SB protein force field
2010/03/10 by Kresten Lindorff‐Larsen, Stefano Piana, Kim Palmo +5 · 57 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · #Protein Structure and Dynamics #Advanced NMR Techniques and Applications #Enzyme Structure and Function
- Learning from Protein Structure with Geometric Vector Perceptrons
2020/09/03 by Bowen Jing, Jing, Bowen, Stephan Eismann +7 · 28 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML) #Machine Learning in Materials Science #Protein Structure and Dynamics
- Biomolecular Simulation: A Computational Microscope for Molecular Biology
2012/05/11 by Ron O. Dror, Robert M. Dirks, J.P. Grossman +2 · 2 voices · 6 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Enzyme Structure and Function #Protein Structure and Dynamics #RNA and protein synthesis mechanisms
- The Art and Science of Molecular Docking
2024/04/10 by Joseph M. Paggi, Ayush Pandit, Ron O. Dror · 10 citations
Computer Science · Chemistry · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Click Chemistry and Applications #Protein Structure and Dynamics
- RNA-Puzzles Round V: blind predictions of 23 RNA structures
2024/12/02 by Fan Bu, Yagoub Adam, Ryszard W. Adamiak +96 · 2 voices · 15 citations
Biochemistry, Genetics and Molecular Biology · #Genomics and Phylogenetic Studies #RNA and protein synthesis mechanisms #RNA modifications and cancer
- Hierarchical, rotation‐equivariant neural networks to select structural models of protein complexes
2020/12/02 by Stephan Eismann, Raphael J.L. Townshend, Nathaniel Thomas +3 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
- Systematic Analysis of Biomolecular Conformational Ensembles with PENSA
2022/12/06 by Martin Vögele, Neil J. Thomson, Sang T. Truong +4 · 1 voice · 2 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics #RNA and protein synthesis mechanisms #physics.bio-ph #physics.comp-ph #q-bio.BM
- Unlocking hidden biomolecular conformational landscapes in diffusion models at inference time
2025/12/02 by Jessica Karaguesian, Richman, Daniel D., Karaguesian, Jessica +4 · 2 citations
Biochemistry, Genetics and Molecular Biology · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Gene Regulatory Network Analysis #Genomics and Chromatin Dynamics #Machine Learning (cs.LG) #Protein Structure and Dynamics
- How accurately can one predict drug binding modes using AlphaFold models?
2023/08/08 by Masha Karelina, Joseph J. Noh, Ron O. Dror · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · #Computational Drug Discovery Methods #Protein Structure and Dynamics #Receptor Mechanisms and Signaling