Paula Jofily

Computational Theory and Mathematics · 2019

A researcher in the Science corpus: 1 paper; trusts 16 researchers and is trusted by 0 researchers here, as inferred from the citation graph.

Subfields

• Computational Theory and Mathematics — 57 citations into it
• Molecular Biology — 54 citations into it
• Computational Chemistry & Drug Discovery — 27 citations into it
• Materials Chemistry — 18 citations into it
• Pharmacology — 7 citations into it
• Evaluation & Benchmarks — 6 citations into it

Whom Paula Jofily trusts overall

Their strongest outbound trust, strongest first, inferred from their citations.

1. Renxiao Wang
2. Ruth Huey
3. Pedro J. Ballester
4. Marcel L. Verdonk
5. H. Jhoti
6. Yu Chen
7. René Thomsen

Papers from Paula Jofily's perspective

Ordered by how strongly the researchers Paula Jofily trusts endorse each paper. Same corpus, a different order for every researcher.

1. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
2. Prediction of protein-ligand interactions. Docking and scoring: successes and gaps. (Journal of Medicinal Chemistry)
3. A fast flexible docking method using an incremental construction algorithm.
4. The PDBbind database: methodologies and updates.
5. Ligand efficiency: a useful metric for lead selection. (Drug Discovery Today)
6. Improved protein–ligand docking using GOLD
7. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
8. The Protein Data Bank
9. A semiempirical free energy force field with charge‐based desolvation (Journal of Computational Chemistry)
10. Molecular recognition and docking algorithms.

Their papers

• Key Topics in Molecular Docking for Drug Design (2019) — 520 citations