Giulio Rastelli

Molecular Biology · 2009–2019

A researcher in the Science corpus: 3 papers; trusts 45 researchers and is trusted by 3 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 81 citations into it
• Computational Theory and Mathematics — 74 citations into it; #8,447 of 12,182 by trust here, #4,365 by citations
• Computational Chemistry & Drug Discovery — 23 citations into it
• Pharmacology — 23 citations into it
• Materials Chemistry — 15 citations into it
• Organic Chemistry — 11 citations into it; #686 of 1,495 by trust here, #889 by citations
• Evaluation & Benchmarks — 7 citations into it
• Radiology, Nuclear Medicine and Imaging — 6 citations into it

Whom Giulio Rastelli trusts overall

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

1. Antonio Lavecchia
2. Pedro J. Ballester
3. Alessandro Laio
4. Gregory L. Wilson
5. David J. Diller
6. Cheng Wang
7. Veronica Salmaso
8. Hae-Sang Park
9. David S. Wishart
10. Douglas B. Kitchen

Who trusts Giulio Rastelli overall

1. Masha Karelina
2. Samuel Genheden
3. Rohan Gupta

Papers from Giulio Rastelli's perspective

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

1. Docking and scoring in virtual screening for drug discovery: methods and applications
2. DrugBank: a comprehensive resource for in silico drug discovery and exploration
3. Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy.
4. A fast flexible docking method using an incremental construction algorithm.
5. BindingDB: a web-accessible database of experimentally determined protein–ligand binding affinities
6. AutoDock Vina: improving the speed and accuracy of docking with a new scoring function, efficient optimization and multithreading
7. The Protein Data Bank
8. Glide: a new approach for rapid, accurate docking and scoring. 2. Enrichment factors in database screening.
9. AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility
10. The Protein Data Bank.

Their papers

• Molecular Docking: Shifting Paradigms in Drug Discovery (2019) — 1,924 citations
• Fast and accurate predictions of binding free energies using MM‐PBSA and MM‐GBSA (2009) — 754 citations
• Polypharmacology: challenges and opportunities in drug discovery. (2014) — 932 citations