Year |
Citation |
Score |
2024 |
Saha A, Ahsan M, Arantes PR, Schmitz M, Chanez C, Jinek M, Palermo G. An alpha-helical lid guides the target DNA toward catalysis in CRISPR-Cas12a. Nature Communications. 15: 1473. PMID 38368461 DOI: 10.1038/s41467-024-45762-6 |
0.373 |
|
2023 |
Molina Vargas AM, Sinha S, Osborn R, Arantes PR, Patel A, Dewhurst S, Hardy DJ, Cameron A, Palermo G, O'Connell MR. New design strategies for ultra-specific CRISPR-Cas13a-based RNA detection with single-nucleotide mismatch sensitivity. Nucleic Acids Research. PMID 38033324 DOI: 10.1093/nar/gkad1132 |
0.64 |
|
2023 |
Sinha S, Molina Vargas AM, Arantes PR, Patel A, O'Connell MR, Palermo G. Unveiling the RNA-mediated allosteric activation discloses functional hotspots in CRISPR-Cas13a. Nucleic Acids Research. PMID 38033317 DOI: 10.1093/nar/gkad1127 |
0.647 |
|
2023 |
Wang J, Maschietto F, Qiu T, Arantes PR, Skeens E, Palermo G, Lisi GP, Batista VS. Substrate-independent activation pathways of the CRISPR-Cas9 HNH nuclease. Biophysical Journal. PMID 37936350 DOI: 10.1016/j.bpj.2023.11.005 |
0.608 |
|
2023 |
Vargas AMM, Osborn R, Sinha S, Arantes PR, Patel A, Dewhurst S, Palermo G, O'Connell MR. New design strategies for ultra-specific CRISPR-Cas13a-based RNA-diagnostic tools with single-nucleotide mismatch sensitivity. Biorxiv : the Preprint Server For Biology. PMID 37547020 DOI: 10.1101/2023.07.26.550755 |
0.644 |
|
2023 |
Sinha S, Molina Vargas AM, Arantes PR, Patel A, O'Connell MR, Palermo G. RNA-mediated Allosteric Activation in CRISPR-Cas13a. Biorxiv : the Preprint Server For Biology. PMID 37546822 DOI: 10.1101/2023.07.27.550797 |
0.65 |
|
2023 |
Sinha S, Pindi C, Ahsan M, Arantes PR, Palermo G. Machines on Genes through the Computational Microscope. Journal of Chemical Theory and Computation. PMID 36947696 DOI: 10.1021/acs.jctc.2c01313 |
0.612 |
|
2023 |
Kumar A, Arantes PR, Saha A, Palermo G, Wong BM. GPU-Enhanced DFTB Metadynamics for Efficiently Predicting Free Energies of Biochemical Systems. Molecules (Basel, Switzerland). 28. PMID 36770943 DOI: 10.3390/molecules28031277 |
0.732 |
|
2023 |
Wang J, Arantes PR, Ahsan M, Sinha S, Kyro GW, Maschietto F, Allen B, Skeens E, Lisi GP, Batista VS, Palermo G. Twisting and swiveling domain motions in Cas9 to recognize target DNA duplexes, make double-strand breaks, and release cleaved duplexes. Frontiers in Molecular Biosciences. 9: 1072733. PMID 36699705 DOI: 10.3389/fmolb.2022.1072733 |
0.673 |
|
2022 |
Nierzwicki Ł, East KW, Binz JM, Hsu RV, Ahsan M, Arantes PR, Skeens E, Pacesa M, Jinek M, Lisi GP, Palermo G. Principles of target DNA cleavage and the role of Mg2+ in the catalysis of CRISPR-Cas9. Nature Catalysis. 5: 912-922. PMID 36778082 DOI: 10.1038/s41929-022-00848-6 |
0.686 |
|
2022 |
Pacesa M, Lin CH, Cléry A, Saha A, Arantes PR, Bargsten K, Irby MJ, Allain FH, Palermo G, Cameron P, Donohoue PD, Jinek M. Structural basis for Cas9 off-target activity. Cell. 185: 4067-4081.e21. PMID 36306733 DOI: 10.1016/j.cell.2022.09.026 |
0.76 |
|
2022 |
Rossetti M, Merlo R, Bagheri N, Moscone D, Valenti A, Saha A, Arantes PR, Ippodrino R, Ricci F, Treglia I, Delibato E, van der Oost J, Palermo G, Perugino G, Porchetta A. Enhancement of CRISPR/Cas12a trans-cleavage activity using hairpin DNA reporters. Nucleic Acids Research. PMID 35822842 DOI: 10.1093/nar/gkac578 |
0.767 |
|
2022 |
Saha A, Arantes PR, Palermo G. Dynamics and mechanisms of CRISPR-Cas9 through the lens of computational methods. Current Opinion in Structural Biology. 75: 102400. PMID 35689914 DOI: 10.1016/j.sbi.2022.102400 |
0.788 |
|
2022 |
Wang J, Skeens E, Arantes PR, Maschietto F, Allen B, Kyro GW, Lisi GP, Palermo G, Batista VS. Structural Basis for Reduced Dynamics of Three Engineered HNH Endonuclease Lys-to-Ala Mutants for the Clustered Regularly Interspaced Short Palindromic Repeat (CRISPR)-Associated 9 (CRISPR/Cas9) Enzyme. Biochemistry. PMID 35420793 DOI: 10.1021/acs.biochem.2c00127 |
0.683 |
|
2022 |
Arantes PR, Patel AC, Palermo G. Emerging Methods and Applications to Decrypt Allostery in Proteins and Nucleic Acids. Journal of Molecular Biology. 167518. PMID 35240127 DOI: 10.1016/j.jmb.2022.167518 |
0.646 |
|
2021 |
Nierzwicki L, East KW, Morzan UN, Arantes PR, Batista VS, Lisi GP, Palermo G. Enhanced specificity mutations perturb allosteric signaling in CRISPR-Cas9. Elife. 10. PMID 34908530 DOI: 10.7554/eLife.73601 |
0.627 |
|
2021 |
Wang J, Arantes PR, Bhattarai A, Hsu RV, Pawnikar S, Huang YM, Palermo G, Miao Y. Gaussian accelerated molecular dynamics (GaMD): principles and applications. Wiley Interdisciplinary Reviews. Computational Molecular Science. 11. PMID 34899998 DOI: 10.1002/wcms.1521 |
0.636 |
|
2021 |
Belato HB, D'Ordine AM, Nierzwicki L, Arantes PR, Jogl G, Palermo G, Lisi GP. Structural and dynamic insights into the HNH nuclease of divergent Cas9 species. Journal of Structural Biology. 214: 107814. PMID 34871741 DOI: 10.1016/j.jsb.2021.107814 |
0.669 |
|
2021 |
Arantes PR, Polêto MD, Pedebos C, Ligabue-Braun R. Making it Rain: Cloud-Based Molecular Simulations for Everyone. Journal of Chemical Information and Modeling. 61: 4852-4856. PMID 34595915 DOI: 10.1021/acs.jcim.1c00998 |
0.707 |
|
2021 |
Nierzwicki Ł, Arantes PR, Saha A, Palermo G. Establishing the allosteric mechanism in CRISPR-Cas9. Wiley Interdisciplinary Reviews. Computational Molecular Science. 11. PMID 34322166 DOI: 10.1002/wcms.1503 |
0.791 |
|
2021 |
Narkhede YB, Gautam AK, Hsu RV, Rodriguez W, Zewde NT, Harrison RES, Arantes PR, Gaieb Z, Gorham RD, Kieslich C, Morikis D, Sahu A, Palermo G. Role of Electrostatic Hotspots in the Selectivity of Complement Control Proteins Toward Human and Bovine Complement Inhibition. Frontiers in Molecular Biosciences. 8: 618068. PMID 33829039 DOI: 10.3389/fmolb.2021.618068 |
0.561 |
|
2020 |
Arantes PR, Saha A, Palermo G. Fighting COVID-19 Using Molecular Dynamics Simulations. Acs Central Science. 6: 1654-1656. PMID 33140032 DOI: 10.1021/acscentsci.0c01236 |
0.755 |
|
2020 |
Saha A, Arantes PR, Hsu RV, Narkhede YB, Jinek M, Palermo G. Molecular Dynamics Reveals a DNA-Induced Dynamic Switch Triggering Activation of CRISPR-Cas12a. Journal of Chemical Information and Modeling. PMID 33107304 DOI: 10.1021/acs.jcim.0c00929 |
0.782 |
|
2020 |
Arantes PR, Pedebos C, Polêto MD, Pol-Fachin L, Verli H. The Lazy Life of Lipid-Linked Oligosaccharides in All Life Domains. Journal of Chemical Information and Modeling. 60: 631-643. PMID 31769974 DOI: 10.1021/Acs.Jcim.9B00904 |
0.763 |
|
2019 |
Arantes PR, Polêto MD, John EBO, Pedebos C, Grisci BI, Dorn M, Verli H. Development of GROMOS-Compatible Parameter Set for Simulations of Chalcones and Flavonoids. The Journal of Physical Chemistry. B. PMID 30624922 DOI: 10.1021/Acs.Jpcb.8B10139 |
0.764 |
|
2018 |
Arantes PR, Pérez-Sánchez H, Verli H. Antithrombin conformational modulation by D-myo-inositol 3,4,5,6-tetrakisphosphate (TMI), a novel scaffold for the development of antithrombotic agents. Journal of Biomolecular Structure & Dynamics. 36: 4045-4056. PMID 29173042 DOI: 10.1080/07391102.2017.1407259 |
0.634 |
|
2015 |
Pedebos C, Arantes PR, Giesel GM, Verli H. In silico Investigation of the PglB Active Site Reveals Transient Catalytic States and Octahedral Metal Ion Coordination. Glycobiology. 25: 1183-95. PMID 26220543 DOI: 10.1093/glycob/cwv053 |
0.541 |
|
2015 |
Chaves Valadão AL, Abreu CM, Dias JZ, Arantes P, Verli H, Tanuri A, de Aguiar RS. Natural Plant Alkaloid (Emetine) Inhibits HIV-1 Replication by Interfering with Reverse Transcriptase Activity. Molecules (Basel, Switzerland). 20: 11474-89. PMID 26111177 DOI: 10.3390/molecules200611474 |
0.534 |
|
2014 |
Schachter J, Valadao AL, Aguiar RS, Barreto-de-Souza V, Rossi AD, Arantes PR, Verli H, Quintana PG, Heise N, Tanuri A, Bou-Habib DC, Persechini PM. 2´,3´-Dialdehyde of ATP, ADP, and adenosine inhibit HIV-1 reverse transcriptase and HIV-1 replication. Current Hiv Research. 12: 347-58. PMID 25174839 |
0.514 |
|
2014 |
Arantes PR, Sachett LG, Graebin CS, Verli H. Conformational characterization of ipomotaosides and their recognition by COX-1 and 2. Molecules (Basel, Switzerland). 19: 5421-33. PMID 24879586 DOI: 10.3390/molecules19045421 |
0.571 |
|
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