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Rocco Moretti

9PUBLICATIONS

66CO-AUTHORS

Cheminformatics and quantitative structure-activity relationshipsSequence analysisBiomolecular modelling and designNeural networksSemi- and unsupervised learning

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Publications (9)

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|Jan 21, 2026

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

Oleksandra Herasymenko, Madhushika Silva, Galen J Correy

|Nov 07, 2025

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

Paul Eisenhuth, Fabian Liessmann, Rocco Moretti

|Jun 20, 2025

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

Oleksandra Herasymenko, Madhushika Silva, Abd Al-Aziz A Abu-Saleh

|Jun 11, 2025

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

Yidan Tang, Rocco Moretti, Jens Meiler

|May 14, 2025

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

Yunchao Liu, Rocco Moretti, Yu Wang

|Apr 14, 2025

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

Thomas Scott, Christian Alan Paul Smethurst, Yvonne Westermaier

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Frequent Collaborators

3 joint publications

Yvonne Westermaier

2 joint publications

Yidan Tang

2 joint publications

Elisa Gibson

2 joint publications

Jens Meiler

2 joint publications

Rachel J Harding

2 joint publications

Darren Fayne

2 joint publications

Jan Halborg Jensen

2 joint publications

Judith Günther

2 joint publications

Aled Edwards

2 joint publications

Hartmut Beck

Frequent Collaborators

3 joint publications

Yvonne Westermaier

2 joint publications

Yidan Tang

2 joint publications

Elisa Gibson

2 joint publications

Jens Meiler

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