Enhancement of CRISPR/Cas12a trans-cleavage activity using hairpin DNA reporters von Rossetti, Marianna, Merlo, Rosa, Bagheri, Neda, Moscone, Danila, Valenti, Anna, Saha, Aakash, Arantes, Pablo R, Ippodrino, Rudy, Ricci, Francesco, Treglia, Ida, Delibato, Elisabetta, van der Oost, John, Palermo, Giulia, Perugino, Giuseppe, Porchetta, Alessandro

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GPU-Enhanced DFTB Metadynamics for Efficiently Predicting Free Energies of Biochemical Systems von Kumar, Anshuman, Arantes, Pablo R, Saha, Aakash, Palermo, Giulia, Wong, Bryan M

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An alpha-helical lid guides the target DNA toward catalysis in CRISPR-Cas12a von Saha, Aakash, Ahsan, Mohd, Arantes, Pablo R., Schmitz, Michael, Chanez, Christelle, Jinek, Martin, Palermo, Giulia

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New design strategies for ultra-specific CRISPR-Cas13a-based RNA detection with single-nucleotide mismatch sensitivity von Molina Vargas, Adrian M, Sinha, Souvik, Osborn, Raven, Arantes, Pablo R, Patel, Amun, Dewhurst, Stephen, Hardy, Dwight J, Cameron, Andrew, Palermo, Giulia, O’Connell, Mitchell R

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Fighting COVID-19 Using Molecular Dynamics Simulations von Arantes, Pablo R, Saha, Aakash, Palermo, Giulia

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Unveiling the RNA-mediated allosteric activation discloses functional hotspots in CRISPR-Cas13a von Sinha, Souvik, Molina Vargas, Adrian M, Arantes, Pablo R, Patel, Amun, O’Connell, Mitchell R, Palermo, Giulia

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Enhanced specificity mutations perturb allosteric signaling in CRISPR-Cas9 von Nierzwicki, Lukasz, East, Kyle W., Morzan, Uriel N., Arantes, Pablo R., Batista, Victor S., Lisi, George P., Palermo, Giulia

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Dynamics and mechanisms of CRISPR-Cas9 through the lens of computational methods von Saha, Aakash, Arantes, Pablo R., Palermo, Giulia

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Emerging Methods and Applications to Decrypt Allostery in Proteins and Nucleic Acids von Arantes, Pablo R., Patel, Amun C., Palermo, Giulia

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Making it Rain: Cloud-Based Molecular Simulations for Everyone von Arantes, Pablo R, Polêto, Marcelo D, Pedebos, Conrado, Ligabue-Braun, Rodrigo

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Machines on Genes through the Computational Microscope von Sinha, Souvik, Pindi, Chinmai, Ahsan, Mohd, Arantes, Pablo R., Palermo, Giulia

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Unveiling Cas8 dynamics and regulation of a transposon-encoded cascade-TniQ complex von Patel, Amun C., Sinha, Souvik, Arantes, Pablo R., Palermo, Giulia

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Molecular Dynamics Reveals a DNA-Induced Dynamic Switch Triggering Activation of CRISPR-Cas12a von Saha, Aakash, Arantes, Pablo R, Hsu, Rohaine V, Narkhede, Yogesh B, Jinek, Martin, Palermo, Giulia

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Structural basis for Cas9 off-target activity von Pacesa, Martin, Lin, Chun-Han, Cléry, Antoine, Saha, Aakash, Arantes, Pablo R, Bargsten, Katja, Irby, Matthew J, Allain, Frédéric H-T, Palermo, Giulia, Cameron, Peter, Donohoue, Paul D, Jinek, Martin

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Gaussian accelerated molecular dynamics: Principles and applications von Wang, Jinan, Arantes, Pablo R., Bhattarai, Apurba, Hsu, Rohaine V., Pawnikar, Shristi, Huang, Yu‐ming M., Palermo, Giulia, Miao, Yinglong

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Twisting and swiveling domain motions in Cas9 to recognize target DNA duplexes, make double-strand breaks, and release cleaved duplexes von Wang, Jimin, Arantes, Pablo R, Ahsan, Mohd, Sinha, Souvik, Kyro, Gregory W, Maschietto, Federica, Allen, Brandon, Skeens, Erin, Lisi, George P, Batista, Victor S, Palermo, Giulia

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Dimerization of the deaminase domain and locking interactions with Cas9 boost base editing efficiency in ABE8e von Arantes, Pablo R, Chen, Xiaoyu, Sinha, Souvik, Saha, Aakash, Patel, Amun C, Sample, Matthew, Nierzwicki, Łukasz, Lapinaite, Audrone, Palermo, Giulia

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Key role of an alpha-helical lid in driving the target DNA toward catalysis in CRISPR-Cas12a von Saha, Aakash, Ahsan, Mohd, Arantes, Pablo R., Chanez, Christelle, Schmitz, Michael, Jinek, Martin, Palermo, Giulia

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Substrate-independent activation pathways of the CRISPR-Cas9 HNH nuclease von Wang, Jimin, Maschietto, Federica, Qiu, Tianyin, Arantes, Pablo R., Skeens, Erin, Palermo, Giulia, Lisi, George P., Batista, Victor S.

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Conformational characterization of ipomotaosides and their recognition by COX-1 and 2 von Arantes, Pablo R, Sachett, Liana G, Graebin, Cedric S, Verli, Hugo

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