Zoe Cournia
Molecular Biology · 2014–2017
A researcher in the Science corpus: 3 papers; trusts 8 researchers and is trusted by 0 researchers here, as inferred from the citation graph.
Subfields
- Molecular Biology — 88 citations into it
- Computational Theory and Mathematics — 42 citations into it
- Materials Chemistry — 34 citations into it
- Computational Chemistry & Drug Discovery — 19 citations into it
- Organic Chemistry — 17 citations into it
- Radiology, Nuclear Medicine and Imaging — 7 citations into it
Whom Zoe Cournia trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
- W. L. Jorgensen
- Charles H. Bennett
- Julian Tirado-Rives
- Gavin E. Crooks
- K. Henzler-Wildman
- David L. Mobley
- Robert Abel
- Ajay N. Jain
- K. Lindorff‐Larsen
Papers from Zoe Cournia's perspective
Ordered by how strongly the researchers Zoe Cournia trusts endorse each paper. Same corpus, a different order for every researcher.
- Scalable molecular dynamics with NAMD
- Efficient estimation of free energy differences from Monte Carlo data
- Comparative protein modelling by satisfaction of spatial restraints.
- How Fast-Folding Proteins Fold (Science)
- Energetics of displacing water molecules from protein binding sites: consequences for ligand optimization.
- Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening.
- Path-ensemble averages in systems driven far from equilibrium
- Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments (Journal of Computer-Aided Molecular Design)
- ICM—A new method for protein modeling and design: Applications to docking and structure prediction from the distorted native conformation
- Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings.
Their papers
- Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory (2015) — 185 citations
- Structure-Based Virtual Screening for Drug Discovery: Principles, Applications and Recent Advances (2014) — 968 citations
- Relative Binding Free Energy Calculations in Drug Discovery: Recent Advances and Practical Considerations (2017) — 679 citations