| Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database G Duarte Ramos Matos, DY Kyu, HH Loeffler, JD Chodera, MR Shirts, ... Journal of Chemical & Engineering Data 62 (5), 1559-1569, 2017 | 215 | 2017 |
| Reproducibility of free energy calculations across different molecular simulation software packages HH Loeffler, S Bosisio, G Duarte Ramos Matos, D Suh, B Roux, ... Journal of chemical theory and computation 14 (11), 5567-5582, 2018 | 76 | 2018 |
| Infinite dilution activity coefficients as constraints for force field parametrization and method development G Duarte Ramos Matos, G Calabro, DL Mobley Journal of chemical theory and computation 15 (5), 3066-3074, 2019 | 17 | 2019 |
| Challenges in the use of atomistic simulations to predict solubilities of drug-like molecules GDR Matos, DL Mobley F1000Research 7, 2018 | 13 | 2018 |
| Molecular dynamics simulations of montmorillonite reinforcing amylose plasticized by Brazilian Cerrado oils: Polymer-clay nanocomposite FA Rios Silva, MJ Araújo Sales, M Ghoul, L Chebil, GD Ramos Matos, ... MRS Communications 8, 266-274, 2018 | 4 | 2018 |
| Descriptor-Driven de Novo Design Algorithms for DOCK6 Using RDKit G Duarte Ramos Matos, S Pak, RC Rizzo Journal of Chemical Information and Modeling, 2023 | 1 | 2023 |
| Revisiting Biginelli-like Reactions: Solvent Effects, Mechanisms, Biological Applications and Correction of Several Literature Reports BAD Neto, P Beck, A Leitão, Y Santana, JR Correa, ... Organic & Biomolecular Chemistry, 2024 | | 2024 |
| Rational Design and Multicomponent Synthesis of Lipid–Peptoid Nanocomposites towards a Customized Drug Delivery System Assembly TPF Rosalba, GDR Matos, CEM Salvador, CKZ Andrade Molecules 28 (15), 5725, 2023 | | 2023 |
| Molecular dynamics simulations of montmorillonite reinforcing amylose plasticized by Brazilian Cerrado oils: polymer–clay nanocomposite FAR Silva, MJA Sales, M Ghoul, L Chebil, GDR Matos, ER Maia MRS Communications 8 (2), 266-274, 2018 | | 2018 |
| Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies GDR Matos eScholarship, University of California, 2018 | | 2018 |
| Free Energy Calculations in Action: Theory, Applications and Challenges of Solvation Free Energies G Duarte Ramos Matos UC Irvine, 2018 | | 2018 |
| Solvation free energies via alchemical free energy calculations: Applications and challenges GDR Matos, D Kyud, G Calabro, D Mobley ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 253, 2017 | | 2017 |
| Supporting files: Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database G Duarte Ramos Matos, DL Mobley | | 2017 |
| Supporting files: Approaches for calculating solvation free energies and enthalpies demonstrated with an update of the FreeSolv database GDR Matos eScholarship, University of California, 2017 | | 2017 |
| Stereochemical and 13 C NMR study in order to characterize intermediates obtained by cyclisation of diisoxazoledilactone AFC Amaral, GDR Matos, IS Resck, ER Maia Blucher Chemistry Proceedings 1 (1), 322-322, 2013 | | 2013 |
| Stereochemistry study to characterization of intermediaries obtained by cyclization of a di isoxazole dilactone; Estudo estereoquimico para caracterizacao de intermediarios … GDR Matos, AFC Amaral, ER Maia, MB Costa, IS Resck | | 2011 |
| Stereochemistry study to characterization of intermediaries obtained by cyclization of a di isoxazole dilactone; Estudo estereoquimico para caracterizacao de intermediarios … GDR Matos, AFC Amaral, ER Maia, MB Costa, IS Resck | | 2011 |
| Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software HH Loeffler, S Bosisio, GDR Matos, D Suh, B Roux, DL Mobley, J Michel, ... | | |
| Supporting information for: Reproducibility of Free Energy Calculations Across Different Molecular Simulation Software HH Loeffler, S Bosisio, GDR Matos, D Suh, B Roux, DL Mobley, J Michel | | |
David MobleyProfessor, University of California, IrvineVerified email at uci.edu
