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Roberto Dias Lins - Publications

Affiliations: 
Department of Fundamental Chemistry Federal University of Pernambuco, Brazil 
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32 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 Maciel LG, Ferraz MVF, Oliveira AA, Lins RD, Dos Anjos JV, Guido RVC, Soares TA. Inhibition of 3-Hydroxykynurenine Transaminase from and : A Mosquito-Specific Target to Combat the Transmission of Arboviruses. Acs Bio & Med Chem Au. 3: 211-222. PMID 37101811 DOI: 10.1021/acsbiomedchemau.2c00080  0.583
2020 Rusu VH, Santos DES, Poleto MD, Galheigo MM, Gomes ATA, Verli H, Soares TA, Lins RD. Rotational Profiler: A Fast, Automated, and Interactive Server to Derive Torsional Dihedral Potentials for Classical Molecular Simulations. Journal of Chemical Information and Modeling. 60: 5923-5927. PMID 33213140 DOI: 10.1021/acs.jcim.0c01168  0.686
2020 Aprà E, Bylaska EJ, de Jong WA, Govind N, Kowalski K, Straatsma TP, Valiev M, van Dam HJJ, Alexeev Y, Anchell J, Anisimov V, Aquino FW, Atta-Fynn R, Autschbach J, Bauman NP, ... ... Lins RD, et al. NWChem: Past, present, and future. The Journal of Chemical Physics. 152: 184102. PMID 32414274 DOI: 10.1063/5.0004997  0.685
2019 Santos DEDS, Pontes F, Lins RD, Coutinho K, Soares TA. SuAVE: A Tool for Analyzing Curvature-Dependent Properties in Chemical Interfaces. Journal of Chemical Information and Modeling. PMID 31508962 DOI: 10.1021/acs.jcim.9b00569  0.616
2019 Oliveira IA, Pol-Fachin L, de Carvalho ST, Lins RD, Soares TA, Mohana-Borges R, Neves JL, Todeschini AR. Duffy binding-like 1α adhesin from Plasmodium falciparum recognizes ABH histo-blood group saccharide in a type specific manner. Carbohydrate Polymers. 207: 266-275. PMID 30600009 DOI: 10.1016/j.carbpol.2018.11.082  0.574
2017 Santos DEDS, Pol-Fachin L, Lins RD, Soares TA. Polymyxin Binding to the Bacterial Outer Membrane Reveals Cation Displacement and Increasing Membrane Curvature in Susceptible but not in Resistant LPS Chemotypes. Journal of Chemical Information and Modeling. PMID 28805387 DOI: 10.1021/acs.jcim.7b00271  0.623
2015 Harper B, Thomas D, Chikkagoudar S, Baker N, Tang K, Heredia-Langner A, Lins R, Harper S. Comparative hazard analysis and toxicological modeling of diverse nanomaterials using the embryonic zebrafish (EZ) metric of toxicity. Journal of Nanoparticle Research : An Interdisciplinary Forum For Nanoscale Science and Technology. 17: 250. PMID 26069453 DOI: 10.1007/S11051-015-3051-0  0.466
2014 Nascimento A, Pontes FJ, Lins RD, Soares TA. Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes. Chemical Communications (Cambridge, England). 50: 231-3. PMID 24226484 DOI: 10.1039/c3cc46918b  0.623
2014 Nascimento A, Pontes FJ, Lins RD, Soares TA. Hydration, ionic valence and cross-linking propensities of cations determine the stability of lipopolysaccharide (LPS) membranes. Chemical Communications (Cambridge, England). 50: 231-3. PMID 24226484 DOI: 10.1039/c3cc46918b  0.623
2013 Viana IFT, Soares TA, Lima LFO, Marques ETA, Krieger MA, Dhalia R, Lins RD. De novo design of immunoreactive conformation-specific HIV-1 epitopes based on Top7 scaffold Rsc Advances. 3: 11790-11800. DOI: 10.1039/c3ra41562g  0.572
2012 Kirschner KN, Lins RD, Maass A, Soares TA. A Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation. Journal of Chemical Theory and Computation. 8: 4719-4731. PMID 26605626 DOI: 10.1021/ct300534j  0.628
2012 Kirschner KN, Lins RD, Maass A, Soares TA. A Glycam-Based Force Field for Simulations of Lipopolysaccharide Membranes: Parametrization and Validation. Journal of Chemical Theory and Computation. 8: 4719-4731. PMID 26605626 DOI: 10.1021/ct300534j  0.628
2012 Pontes FJ, Rusu VH, Soares TA, Lins RD. The Effect of Temperature, Cations, and Number of Acyl Chains on the Lamellar to Non-Lamellar Transition in Lipid-A Membranes: A Microscopic View. Journal of Chemical Theory and Computation. 8: 3830-8. PMID 26593024 DOI: 10.1021/ct300084v  0.616
2012 Kirschner KN, Lins RD, Maass A, Soares TA. A glycam-based force field for simulations of lipopolysaccharide membranes: Parametrization and validation Journal of Chemical Theory and Computation. 8: 4719-4731. DOI: 10.1021/ct300534j  0.593
2011 Gomes DE, Lins RD, Pascutti PG, Lei C, Soares TA. Conformational variability of organophosphorus hydrolase upon soman and paraoxon binding. The Journal of Physical Chemistry. B. 115: 15389-98. PMID 22098575 DOI: 10.1021/jp208787g  0.624
2010 Gomes DE, Lins RD, Pascutti PG, Lei C, Soares TA. The role of nonbonded interactions in the conformational dynamics of organophosphorous hydrolase adsorbed onto functionalized mesoporous silica surfaces. The Journal of Physical Chemistry. B. 114: 531-40. PMID 19938866 DOI: 10.1021/jp9083635  0.599
2009 Oliveira OV, Freitas LC, Straatsma TP, Lins RD. Interaction between the CBM of Cel9A from Thermobifida fusca and cellulose fibers. Journal of Molecular Recognition : Jmr. 22: 38-45. PMID 18853469 DOI: 10.1002/jmr.925  0.629
2008 Franca EF, Lins RD, Freitas LC, Straatsma TP. Characterization of Chitin and Chitosan Molecular Structure in Aqueous Solution. Journal of Chemical Theory and Computation. 4: 2141-9. PMID 26620485 DOI: 10.1021/ct8002964  0.601
2008 Lower BH, Lins RD, Oestreicher Z, Straatsma TP, Hochella MF, Shi L, Lower SK. In vitro evolution of a peptide with a hematite binding motif that may constitute a natural metal-oxide binding archetype. Environmental Science & Technology. 42: 3821-7. PMID 18546729 DOI: 10.1021/Es702688C  0.625
2008 Lins RD, Vorpagel ER, Guglielmi M, Straatsma TP. Computer simulation of uranyl uptake by the rough lipopolysaccharide membrane of Pseudomonas aeruginosa. Biomacromolecules. 9: 29-35. PMID 18067253 DOI: 10.1021/bm700609r  0.629
2008 Soares TA, Straatsma TP, Lins RD. Influence of the B-band O-antigen chain in the structure and electrostatics of the lipopolysaccharide membrane of Pseudomonas aeruginosa Journal of the Brazilian Chemical Society. 19: 312-320. DOI: 10.1590/S0103-50532008000200018  0.691
2005 Soares TA, Hünenberger PH, Kastenholz MA, Kräutler V, Lenz T, Lins RD, Oostenbrink C, van Gunsteren WF. An improved nucleic acid parameter set for the GROMOS force field. Journal of Computational Chemistry. 26: 725-37. PMID 15770662 DOI: 10.1002/Jcc.20193  0.585
2004 Adesokan AA, Roberts VA, Lee KW, Lins RD, Briggs JM. Prediction of HIV-1 integrase/viral DNA interactions in the catalytic domain by fast molecular docking. Journal of Medicinal Chemistry. 47: 821-8. PMID 14761184 DOI: 10.1021/Jm0301890  0.581
2002 Soares TA, Lins RD, Straatsma TP, Briggs JM. Internal dynamics and ionization states of the macrophage migration inhibitory factor: comparison between wild-type and mutant forms. Biopolymers. 65: 313-23. PMID 12382291 DOI: 10.1002/Bip.10252  0.749
2001 Lins RD, Straatsma TP. Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa. Biophysical Journal. 81: 1037-46. PMID 11463645 DOI: 10.1016/S0006-3495(01)75761-X  0.641
2000 Carlson HA, Masukawa KM, Rubins K, Bushman FD, Jorgensen WL, Lins RD, Briggs JM, McCammon JA. Developing a dynamic pharmacophore model for HIV-1 integrase. Journal of Medicinal Chemistry. 43: 2100-14. PMID 10841789 DOI: 10.1021/Jm990322H  0.72
2000 Lins RD, Adesokan A, Soares TA, Briggs JM. Investigations on human immunodeficiency virus type 1 integrase/DNA binding interactions via molecular dynamics and electrostatics calculations. Pharmacology & Therapeutics. 85: 123-31. PMID 10739867 DOI: 10.1016/S0163-7258(99)00059-5  0.724
2000 Lins RD, Straatsma TP, Briggs JM. Similarities in the HIV-1 and ASV integrase active sites upon metal cofactor binding. Biopolymers. 53: 308-15. PMID 10685051 DOI: 10.1002/(Sici)1097-0282(20000405)53:4<308::Aid-Bip3>3.0.Co;2-H  0.719
1999 Lins RD, Soares TA, Ferreira R, Longo RL. Solvent Accessibility to Aspartyl and Succinimidyl Residues at Positions 7 and 23 in the Amyloid β 1 - 28 Peptide Zeitschrift FüR Naturforschung C. 54: 264-270. PMID 10408830 DOI: 10.1515/Znc-1999-3-418  0.556
1999 Lins RD, Briggs JM, Straatsma TP, Carlson HA, Greenwald J, Choe S, McCammon JA. Molecular dynamics studies on the HIV-1 integrase catalytic domain. Biophysical Journal. 76: 2999-3011. PMID 10354426 DOI: 10.1016/S0006-3495(99)77453-9  0.761
1998 Weber W, Demirdjian H, Lins RD, Briggs JM, Ferreira R, McCammon JA. Brownian and essential dynamics studies of the HIV-1 integrase catalytic domain. Journal of Biomolecular Structure & Dynamics. 16: 733-45. PMID 10052629 DOI: 10.1080/07391102.1998.10508285  0.651
1997 Soares TA, Lins RD, Longo R, Garratt R, Ferreira R. Plural Origins of Molecular Homochirality in Our Biota Part II. The Relative Stabilities of Homochiral and Mixed Oligoribotides and Peptides Zeitschrift FüR Naturforschung C. 52: 89-96. DOI: 10.1515/Znc-1997-1-216  0.57
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