Guilherme Duarte Ramos Matos - Publications
Affiliations: | Stony Brook University, Stony Brook, NY, United States |
Area:
Free Energy Calculations, Protein Ligand DockingYear | 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 | |||
Show low-probability matches. |