Work

ROSHAMBO2: Accelerating Molecular Alignment for Large Chemical Libraries with GPU Optimization and Algorithmic Advances

Year: 2025

Type: article

Source: Journal of Chemical Information and Modeling

DOI: 10.1021/acs.jcim.5c01322

Authors: Rasha Atwi, Stephen Farr, Ye Wang, Adam Antoszewski, Simone Sciabola

Institutions: Biogen (United States), Acellera (Spain)

Language: English

Topic: Computational Drug Discovery Methods

Subfield: Computational Theory and Mathematics

Field: Computer Science

Domain: Physical Sciences

Open Access status: closed

Funder: Biogen

OpenAlex ID: W4414473595

FWCI: 0.993

Cites: 33

Cited by: 2

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