Luke Warrensford

Computer ScienceBiochemistry, Genetics and Molecular BiologyMedicinePhysics and Astronomy

Pilot corpus only

This score is computed over theSindex pilot corpus and does not cover the full scientific literature. Scores are relative to papers we have ingested — papers, authors, and institutions outside the pilot are not represented. Methodology.

Top 100%percentile

0Author DataRank

Indexed papers

0in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Papers

Driven by 7 papers. Top paper: “Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches”.

Obtaining QM/MM binding free energies in the SAMPL8 drugs of abuse challenge: indirect approaches

Journal of Computer-Aided Molecular Design(2022)10.1007/s10822-022-00443-8

N/A

0DataRank · unranked

17 citations

Félix Aviat, Rubén Meana‐Pañeda, Luke Warrensford, Benjamin C. Pollard, Samarjeet Prasad +4 more

Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida , Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme

Journal of Natural Products(2022)10.1021/acs.jnatprod.2c00054

N/A

0DataRank · unranked

14 citations

Jordan Nafie, Carolina De Marco Veríssimo, Luke Warrensford, Sarah Dietrick, Amanda R. Pittman +10 more

Tuaimenal A, a meroterpene from the Irish deep-sea soft coral Drifa sp., displays antiviral and antiproliferative bioactivity.

ChemRxiv(2022)10.26434/chemrxiv-2022-bjcfb-v2

N/A

0DataRank · unranked

0 citations

Jordan Nafie, Tracess Smalley, Carolina De Marco Veríssimo, Sarah Dietrick, Ryan Young +10 more

Identification of Potential SARS-CoV-2 Inhibitors Using Flexible Docking Based Drug Repurposing of Antivirals

ChemRxiv(2022)10.26434/chemrxiv-2022-3zrrl

N/A

0DataRank · unranked

0 citations

Amanda R. Pittman, Fiona L. Kearns, Jordan Hale, Kira Astronskas, Steve Austin +6 more

Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme.

ChemRxiv(2022)10.26434/chemrxiv-2022-bjcfb-v3

N/A

0DataRank · unranked

0 citations

Jordan Nafie, Carolina De Marco Veríssimo, Luke Warrensford, Sarah Dietrick, Amanda R. Pittman +10 more

CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed

The Journal of Physical Chemistry B(2024)10.1021/acs.jpcb.4c04100

N/A

0DataRank · unranked

116 citations

Steven L. Austin, Arnaud Blondel, Eric D. Boittier, Stefan Boresch, Matthias Buck +68 more

CovCIFDock: Covalent Docking with CIFDock and Hybrid QM/MM Minimizations

ChemRxiv(2025)10.26434/chemrxiv-2025-mcrsz

N/A

0DataRank · unranked

0 citations

Amanda Pittman, Steve Austin, H. Lee Woodcock, Luke Warrensford