| NWChem: Past, present, and future E Apra, EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, ... The Journal of chemical physics 152 (18), 2020 | 655 | 2020 |
| A new GROMOS force field for hexopyranose‐based carbohydrates RD Lins, PH Hünenberger Journal of computational chemistry 26 (13), 1400-1412, 2005 | 381 | 2005 |
| Developing a dynamic pharmacophore model for HIV-1 integrase HA Carlson, KM Masukawa, K Rubins, FD Bushman, WL Jorgensen, ... Journal of medicinal chemistry 43 (11), 2100-2114, 2000 | 357 | 2000 |
| Trehalose–protein interaction in aqueous solution RD Lins, CS Pereira, PH Hünenberger Proteins: Structure, Function, and Bioinformatics 55 (1), 177-186, 2004 | 308 | 2004 |
| A consistent potential energy parameter set for lipids: dipalmitoylphosphatidylcholine as a benchmark of the GROMOS96 45A3 force field I Chandrasekhar, M Kastenholz, RD Lins, C Oostenbrink, LD Schuler, ... European Biophysics Journal 32, 67-77, 2003 | 234 | 2003 |
| Interaction of the disaccharide trehalose with a phospholipid bilayer: a molecular dynamics study CS Pereira, RD Lins, I Chandrasekhar, LCG Freitas, PH Hünenberger Biophysical journal 86 (4), 2273-2285, 2004 | 223 | 2004 |
| NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020 | 216 | 2020 |
| An improved nucleic acid parameter set for the GROMOS force field TA Soares, PH Hünenberger, MA Kastenholz, V Kräutler, T Lenz, RD Lins, ... Journal of computational chemistry 26 (7), 725-737, 2005 | 214 | 2005 |
| Characterization of chitin and chitosan molecular structure in aqueous solution EF Franca, RD Lins, LCG Freitas, TP Straatsma Journal of Chemical Theory and Computation 4 (12), 2141-2149, 2008 | 209 | 2008 |
| GROMOS 53A6GLYC, an Improved GROMOS Force Field for Hexopyranose-Based Carbohydrates L Pol-Fachin, VH Rusu, H Verli, RD Lins Journal of chemical theory and computation 8 (11), 4681-4690, 2012 | 169 | 2012 |
| Variational particle number approach for rational compound design OA von Lilienfeld, RD Lins, U Rothlisberger Physical review letters 95 (15), 153002, 2005 | 150 | 2005 |
| Chitosan molecular structure as a function of N‐acetylation EF Franca, LCG Freitas, RD Lins Biopolymers 95 (7), 448-460, 2011 | 145 | 2011 |
| Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa RD Lins, TP Straatsma Biophysical journal 81 (2), 1037-1046, 2001 | 142 | 2001 |
| A glycam-based force field for simulations of lipopolysaccharide membranes: parametrization and validation KN Kirschner, RD Lins, A Maass, TA Soares Journal of chemical theory and computation 8 (11), 4719-4731, 2012 | 128 | 2012 |
| In vitro evolution of a peptide with a hematite binding motif that may constitute a natural metal-oxide binding archetype BH Lower, RD Lins, Z Oestreicher, TP Straatsma, MF Hochella Jr, L Shi, ... Environmental science & technology 42 (10), 3821-3827, 2008 | 114 | 2008 |
| Polymorphisms in fibronectin binding protein A of Staphylococcus aureus are associated with infection of cardiovascular devices SK Lower, S Lamlertthon, NN Casillas-Ituarte, RD Lins, R Yongsunthon, ... Proceedings of the National Academy of Sciences 108 (45), 18372-18377, 2011 | 99 | 2011 |
| Molecular dynamics studies on the HIV-1 integrase catalytic domain RD Lins, JM Briggs, TP Straatsma, HA Carlson, J Greenwald, S Choe, ... Biophysical journal 76 (6), 2999-3011, 1999 | 99 | 1999 |
| Rational Zika vaccine design via the modulation of antigen membrane anchors in chimpanzee adenoviral vectors C López-Camacho, P Abbink, RA Larocca, W Dejnirattisai, M Boyd, ... Nature communications 9 (1), 2441, 2018 | 91 | 2018 |
| Significant performance enhancement of polymer resins by bioinspired dynamic bonding S Seo, DW Lee, JS Ahn, K Cunha, E Filippidi, SW Ju, E Shin, BS Kim, ... Advanced materials 29 (39), 1703026, 2017 | 83 | 2017 |
| Prediction of HIV-1 integrase/viral DNA interactions in the catalytic domain by fast molecular docking AA Adesokan, VA Roberts, KW Lee, RD Lins, JM Briggs Journal of medicinal chemistry 47 (4), 821-828, 2004 | 74 | 2004 |
Thereza A. SoaresUniversidade de Sao PauloVerified email at usp.br