Matthew F. D. Hurley

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 10 papers. Top paper: “SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome”.

SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome

bioRxiv (Cold Spring Harbor Laboratory)(2020)10.1101/2020.06.27.175430

N/A

0DataRank · unranked

61 citations

Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller +13 more

SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome

Nature Chemistry(2021)10.1038/s41557-021-00707-0

N/A

0DataRank · unranked

304 citations

Justin R. Porter, Michael D. Ward, Sukrit Singh, Neha Vithani, Artur Meller +13 more

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

Journal of Chemical Information and Modeling(2021)10.1021/acs.jcim.1c00447

N/A

0DataRank · unranked

13 citations

Justin D. Northrup, Ge Yunhui, Christian E. Schafmeister, Vincent A. Voelz, Matthew F. D. Hurley

Metal Cation-Binding Mechanisms of Q-Proline Peptoid Macrocycles in Solution

ChemRxiv(2021)10.26434/chemrxiv.13567853.v1

N/A

0DataRank · unranked

2 citations

Justin D. Northrup, Ge Yunhui, Christian E. Schafmeister, Vincent A. Voelz, Matthew F. D. Hurley

Metal-Binding Q-Proline Macrocycles

ChemRxiv(2021)10.26434/chemrxiv.13554731.v1

N/A

0DataRank · unranked

0 citations

Jesse Wiener, Matthew F. D. Hurley, Chun-Feng David Hou, Taylor M. Keller, Richard H. G. Baxter +4 more

Expanded ensemble predictions of absolute binding free energies in the SAMPL9 host–guest challenge

Physical Chemistry Chemical Physics(2023)10.1039/d3cp02197a

N/A

0DataRank · unranked

7 citations

Robert M. Raddi, Jason G. Pattis, Vincent A. Voelz, Matthew F. D. Hurley

Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.10.03.560722

N/A

0DataRank · unranked

2 citations

Matthew F. D. Hurley, Fengling Li, Eva Konkoľová, Martin Klíma, Jana Trylčová +21 more

Expanded ensemble predictions of absolute binding free energies in the SAMPL9 host--guest challenge

ChemRxiv(2023)10.26434/chemrxiv-2023-rkm7t

N/A

0DataRank · unranked

1 citations

Robert M. Raddi, Jason G. Pattis, Vincent A. Voelz, Matthew F. D. Hurley

Application of established computational techniques to identify potential SARS-CoV-2 Nsp14-MTase inhibitors in low data regimes

Digital Discovery(2024)10.1039/d4dd00006d

N/A

0DataRank · unranked

9 citations

Matthew F. D. Hurley, Fengling Li, Eva Konkoľová, Martin Klíma, Jana Trylčová +21 more

A simple method to optimize the spacing and number of alchemical intermediates in expanded ensemble free energy calculations

ChemRxiv(2025)10.26434/chemrxiv-2025-7fdpf

N/A

0DataRank · unranked

0 citations

Robert M. Raddi, Si Zhang, Matthew F. D. Hurley, Vincent A. Voelz, Dylan Novack