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Guilherme Duarte Ramos Matos - Publications

Affiliations: 
Stony Brook University, Stony Brook, NY, United States 
Area:
Free Energy Calculations, Protein Ligand Docking
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4 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Duarte Ramos Matos G, Pak S, Rizzo RC. Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit. Journal of Chemical Information and Modeling. 63: 5803-5822. PMID 37698425 DOI: 10.1021/acs.jcim.3c01031  0.442
2019 Duarte Ramos Matos G, CalabrĂ³ G, Mobley DL. Infinite dilution activity coefficients as constraints for force field parameterization and method development. Journal of Chemical Theory and Computation. PMID 30939010 DOI: 10.1021/Acs.Jctc.8B01029  0.517
2018 Loeffler HH, Bosisio S, Duarte Ramos Matos G, Suh D, Roux B, Mobley DL, Michel J. Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software. Journal of Chemical Theory and Computation. PMID 30289712 DOI: 10.1021/Acs.Jctc.8B00544  0.508
2018 Duarte Ramos Matos G, Mobley DL. Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules. F1000research. 7: 686. PMID 30109026 DOI: 10.12688/F1000Research.14960.2  0.531
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