Rocco Moretti

Also affiliated with Joint Center for Structural Genomics

Computer ScienceBiochemistry, Genetics and Molecular Biology

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 7%percentile

0.141Author DataRank

Indexed papers

1in pilot corpus

datarank_citation_only_1hop_v6· scope data_onlyMethodology

Why this DataRank?

An author's DataRank is the sum of the DataRanks of all 1 indexed paper attributed to them. A prolific author with many moderate-impact papers can outrank one with a single high-impact paper.

Author scores recompute whenever paper DataRanks are refreshed, so this number lags the underlying paper scores by at most one batch run.

Read the full methodology →

The highest-impact dataset this researcher has shared, ranked by DataRank — the single contribution doing the most to lift their data-sharing standing.

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking

PubMed(2024)10.52202/079017-1686

Top 70%

0.141DataRank

Top 70%1 citations

Tyler Derr, Xin Wang, Rocco Moretti, Yu Wang, Jens Meiler +4 more

Papers

Driven by 22 papers — median percentile 30. Top paper: “Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1”.

Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1

Proceedings of the National Academy of Sciences(2021)10.1073/pnas.2012800118

N/A

0.657DataRank · unranked

79 citations

Sean D. Workman, Tianjun Sun, Stephen Rettie, Xinting Li, L.J. Worrall +12 more

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

Nature Communications(2021)10.1038/s41467-021-27222-7

N/A

0.500DataRank · unranked

27 citations

Sergey Lyskov, Steven M. Lewis, Jared Adolf‐Bryfogle, Rebecca F. Alford, Kyle A. Barlow +45 more

Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids

PLoS ONE(2022)10.1371/journal.pone.0275759

N/A

0.464DataRank · unranked

21 citations

Natália R. Barbaro, Rocco Moretti, David G. Harrison, Jens Meiler, Nathaniel Bloodworth

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c00535

N/A

0.292DataRank · unranked

6 citations

Madhushika Silva, Ayaz Ahmad, Oscar E. A. Arce, Roly J. Armstrong, Cheryl Arrowsmith +105 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

ChemRxiv(2025)10.26434/chemrxiv-2025-8f0rq-v3

N/A

0.165DataRank · unranked

2 citations

Madhushika Silva, Abd Al‐Aziz A. Abu‐Saleh, Ayaz Ahmad, Jesus Antonio Alvarado-Huayhuaz, Oscar E. A. Arce +104 more

CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13

ChemRxiv(2025)10.26434/chemrxiv-2025-8f0rq

N/A

0.150DataRank · unranked

1 citations

Madhushika Silva, Abd Al‐Aziz A. Abu‐Saleh, Ayaz Ahmad, Jesus Antonio Alvarado-Huayhuaz, Oscar E. A. Arce +104 more

WelQrate: Defining the Gold Standard in Small Molecule Drug Discovery Benchmarking

PubMed(2024)10.52202/079017-1686

Top 70%

0.141DataRank

Top 70%1 citations

Tyler Derr, Xin Wang, Rocco Moretti, Yu Wang, Jens Meiler +4 more

CACHE Challenge #1: Targeting the WDR Domain of LRRK2, A Parkinson’s Disease Associated Protein

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c01267

N/A

0DataRank · unranked

26 citations

Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban, Christopher Barden, Hartmut Beck +91 more

CACHE Challenge #1: targeting the WDR domain of LRRK2, a Parkinson’s Disease associated protein

bioRxiv (Cold Spring Harbor Laboratory)(2024)10.1101/2024.07.18.603797

N/A

0DataRank · unranked

5 citations

Suzanne Ackloo, C.H. Arrowsmith, Fuqiang Ban, Christopher Barden, Hartmut Beck +90 more

Ultra-large library screening with an evolutionary algorithm in Rosetta (REvoLd)

PubMed(2024)10.48550/arxiv.2404.17329

N/A

0DataRank · unranked

1 citations

Fabian Ließmann, Rocco Moretti, Jens Meiler, Paul Eisenhuth

RosettaHDX: Predicting antibody-antigen interaction from hydrogen-deuterium exchange mass spectrometry data

Journal of Structural Biology(2025)10.1016/j.jsb.2025.108166

N/A

0DataRank · unranked

5 citations

Cristina E. Martina, Rocco Moretti, Marcus Nagel, Kevin L. Schey, Jens Meiler +1 more

Ultra-large library screening with an evolutionary algorithm in Rosetta (REvoLd)

Communications Chemistry(2025)10.1038/s42004-025-01758-x

N/A

0DataRank · unranked

5 citations

Fabian Ließmann, Rocco Moretti, Jens Meiler, Paul Eisenhuth

Cache: Utilizing ultra-large library screening in Rosetta to identify novel binders of the WD-repeat domain of Leucine-Rich Repeat Kinase 2

Journal of Cheminformatics(2025)10.1186/s13321-025-01084-3

N/A

0DataRank · unranked

3 citations

Paul Eisenhuth, Alexander Fürll, Oanh Vu, Rocco Moretti, Jens Meiler +1 more

RosettaAMRLD: A Reaction-Driven Approach for Structure-Based Drug Design from Combinatorial Libraries with Monte Carlo Metropolis Algorithms

Journal of Chemical Information and Modeling(2025)10.1021/acs.jcim.5c00497

N/A

0DataRank · unranked

4 citations

Rocco Moretti, Jens Meiler, Yidan Tang

Drugit: crowd-sourcing molecular design of non-peptidic VHL binders

Nature Communications(2025)10.1038/s41467-025-58406-0

N/A

0DataRank · unranked

2 citations

Christian A. Smethurst, Yvonne Westermaier, Moriz Mayer, Peter Greb, Roland Kousek +57 more

CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2

ChemRxiv(2025)10.26434/chemrxiv-2025-d1v7v

N/A

0DataRank · unranked

0 citations

Madhushika Silva, G.J. Correy, Abd Al‐Aziz A. Abu‐Saleh, Suzanne Ackloo, C. Arrowsmith +74 more

Delineating the Molecular Basis of the Calmodulin–bMunc13-2 Interaction by Cross-Linking/Mass Spectrometry—Evidence for a Novel CaM Binding Motif in bMunc13-2

Cells(2020)10.3390/cells9010136

N/A

0DataRank · unranked

12 citations

Rocco Moretti, Christian Ihling, André Haedicke, Thomas Liepold, Noa Lipstein +4 more

Better together: Elements of successful scientific software development in a distributed collaborative community

PLoS Computational Biology(2020)10.1371/journal.pcbi.1007507

N/A

0DataRank · unranked

44 citations

Brian D. Weitzner, P. Douglas Renfrew, Steven M. Lewis, Rocco Moretti, Andrew M. Watkins +20 more

Modeling Immunity with Rosetta: Methods for Antibody and Antigen Design

Biochemistry(2021)10.1021/acs.biochem.0c00912

N/A

0DataRank · unranked

62 citations

Samuel Schmitz, Jared Adolf‐Bryfogle, Alexander M. Sevy, Jessica A. Finn, Marion F. Sauer +20 more

Ensuring scientific reproducibility in bio-macromolecular modeling via extensive, automated benchmarks

bioRxiv (Cold Spring Harbor Laboratory)(2021)10.1101/2021.04.04.438423

N/A

0DataRank · unranked

4 citations

Sergey Lyskov, Steven M. Lewis, Jared Adolf‐Bryfogle, Rebecca F. Alford, Kyle A. Barlow +43 more

Advancements in Ligand-Based Virtual Screening through the Synergistic Integration of Graph Neural Networks and Expert-Crafted Descriptors

bioRxiv (Cold Spring Harbor Laboratory)(2023)10.1101/2023.04.17.537185

N/A

0DataRank · unranked

1 citations

Rocco Moretti, Yu Wang, Ha Dong, Bailu Yan, Bobby Bodenheimer +3 more

Recent Advances in Automated Structure-Based De Novo Drug Design

Journal of Chemical Information and Modeling(2024)10.1021/acs.jcim.4c00247

N/A

0DataRank · unranked

73 citations

Rocco Moretti, Jens Meiler, Yidan Tang

Rocco Moretti

Indexed papers

Top data-sharing exemplar

Papers