Xavier Barril
Computational Theory and Mathematics · 2010–2020
A researcher in the Science corpus: 5 papers; trusts 2 researchers and is trusted by 4 researchers here, as inferred from the citation graph.
Subfields
- Computational Theory and Mathematics — 50 citations into it; #7,960 of 12,182 by trust here, #3,796 by citations
Whom Xavier Barril trusts overall
Their strongest outbound trust, strongest first, inferred from their citations.
Who trusts Xavier Barril overall
Papers from Xavier Barril's perspective
Ordered by how strongly the researchers Xavier Barril trusts endorse each paper. Same corpus, a different order for every researcher.
- Structure-Based Virtual Screening for Drug Discovery: a Problem-Centric Review
- ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
- AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
- Molecular recognition and docking algorithms.
- Virtual screening of chemical libraries
- Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
- DOCK 6: combining techniques to model RNA-small molecule complexes.
- Modeling water molecules in protein-ligand docking using GOLD. (Journal of Medicinal Chemistry)
- Basic local alignment search tool.
- The PyMOL Molecular Graphics System
Their papers
- Extended connectivity interaction features: improving binding affinity prediction through chemical description (2020) — 106 citations
- MDpocket: open-source cavity detection and characterization on molecular dynamics trajectories (2011) — 344 citations
- Understanding and predicting druggability. A high-throughput method for detection of drug binding sites. (2010) — 298 citations
- rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids (2014) — 558 citations
- An investigation of structural stability in protein-ligand complexes reveals the balance between order and disorder (2019) — 103 citations