Roderick E. Hubbard

Molecular Biology · 2006–2023

A researcher in the Science corpus: 8 papers; trusts 24 researchers and is trusted by 10 researchers here, as inferred from the citation graph.

Subfields

• Molecular Biology — 70 citations into it; #6,054 of 17,773 by trust here, #9,367 by citations
• Computational Theory and Mathematics — 59 citations into it; #7,580 of 12,182 by trust here, #3,033 by citations
• Computational Chemistry & Drug Discovery — 30 citations into it; #167 of 425 by trust here, #307 by citations
• Materials Chemistry — 20 citations into it
• Pharmacology — 19 citations into it
• Organic Chemistry — 17 citations into it
• Spectroscopy — 13 citations into it; #901 of 1,674 by trust here, #1,607 by citations
• Radiology, Nuclear Medicine and Imaging — 9 citations into it; #1,707 of 3,265 by trust here, #2,754 by citations

Whom Roderick E. Hubbard trusts overall

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

1. Gisbert Schneider
2. A. Hopkins
3. Claudio N. Cavasotto
4. Martin Karplus
5. S. Rasmussen
6. Vadim Cherezov
7. D. Rosenbaum
8. Colin R. Groom
9. Hans-Joachim Böhm
10. N. Unwin

Who trusts Roderick E. Hubbard overall

1. Mikhail Karasikov
2. Michael J. Wasko
3. Samuel Genheden
4. Guillaume Pagès
5. Sergei Grudinin
6. Kendy A. Pellegrene
7. Ulf Ryde

Papers from Roderick E. Hubbard's perspective

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

1. How many drug targets are there?
2. A critical assessment of docking programs and scoring functions.
3. The role of ligand efficiency metrics in drug discovery
4. Crystal structure of an ACh-binding protein reveals the ligand-binding domain of nicotinic receptors (Nature)
5. Molecular properties that influence the oral bioavailability of drug candidates. (Journal of Medicinal Chemistry)
6. Visualizing Data using t-SNE
7. Homology modeling in drug discovery: current trends and applications. (Drug Discovery Today)
8. Ligand efficiency: a useful metric for lead selection. (Drug Discovery Today)
9. X-ray structure of a pentameric ligand-gated ion channel in an apparently open conformation (Nature)
10. A 'rule of three' for fragment-based lead discovery?

Their papers

• Hydrogen Bonds in Proteins: Role and Strength (2010) — 448 citations
• Lessons for fragment library design: analysis of output from multiple screening campaigns (2009) — 110 citations
• rDock: A Fast, Versatile and Open Source Program for Docking Ligands to Proteins and Nucleic Acids (2014) — 558 citations
• Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search (2023) — 21 citations
• The use of a graph database is a complementary approach to a classical similarity search for identifying commercially available fragment merges (2022)
• Twenty years on: the impact of fragments on drug discovery (2016) — 798 citations
• Structure-based drug discovery and protein targets in the CNS. (2011) — 32 citations
• Towards predictive ligand design with free-energy based computational methods? (2006) — 178 citations