Search Results - "Kyro, Gregory W"

Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase by Maschietto, Federica, Morzan, Uriel N., Tofoleanu, Florentina, Gheeraert, Aria, Chaudhuri, Apala, Kyro, Gregory W., Nekrasov, Peter, Brooks, Bernard, Loria, J. Patrick, Rivalta, Ivan, Batista, Victor S.

“…Allosteric drugs have the potential to revolutionize biomedicine due to their enhanced selectivity and protection against overdosage. However, we need to…”
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Author Correction: Turning up the heat mimics allosteric signaling in imidazole-glycerol phosphate synthase by Maschietto, Federica, Morzan, Uriel N., Tofoleanu, Florentina, Gheeraert, Aria, Chaudhuri, Apala, Kyro, Gregory W., Nekrasov, Peter, Brooks, Bernard, Loria, J. Patrick, Rivalta, Ivan, Batista, Victor S.

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Twisting and swiveling domain motions in Cas9 to recognize target DNA duplexes, make double-strand breaks, and release cleaved duplexes by 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

“…The CRISPR-associated protein 9 (Cas9) has been engineered as a precise gene editing tool to make double-strand breaks. CRISPR-associated protein 9 binds the…”
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HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein–Ligand Binding Affinity Prediction by Kyro, Gregory W., Brent, Rafael I., Batista, Victor S.

“…Applying deep learning concepts from image detection and graph theory has greatly advanced protein–ligand binding affinity prediction, a challenge with…”
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MDiGest: A Python package for describing allostery from molecular dynamics simulations by Maschietto, Federica, Allen, Brandon, Kyro, Gregory W, Batista, Victor S

“…Many biological processes are regulated by allosteric mechanisms that communicate with distant sites in the protein responsible for functionality. The binding…”
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ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation by Kyro, Gregory W., Morgunov, Anton, Brent, Rafael I., Batista, Victor S.

“…The incredible capabilities of generative artificial intelligence models have inevitably led to their application in the domain of drug discovery. Within this…”
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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 by Wang, Jimin, Skeens, Erin, Arantes, Pablo R, Maschietto, Federica, Allen, Brandon, Kyro, Gregory W, Lisi, George P, Palermo, Giulia, Batista, Victor S

“…Many bacteria possess type-II immunity against invading phages or plasmids known as the clustered regularly interspaced short palindromic repeat…”
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Electrostatic networks for characterization of allosteric pathways: Allosteric paths in Cas9 apo, DNA- and RNA-bound forms by Maschietto, Federica, Kyro, Gregory W., Allen, Brandon, Arantes, Pablo R., Palermo, Giulia, Lisi, George P., Batista, Victor S.

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The landscape of computational approaches for artificial photosynthesis by Yang, Ke R, Kyro, Gregory W, Batista, Victor S

“…Artificial photosynthesis is an attractive strategy for converting solar energy into fuels, largely because the Earth receives enough solar energy in one hour…”
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Quantum convolutional neural networks for multi-channel supervised learning by Smaldone, Anthony M., Kyro, Gregory W., Batista, Victor S.

“…As the rapidly evolving field of machine learning continues to produce incredibly useful tools and models, the potential for quantum computing to provide speed…”
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Quantum Convolutional Neural Networks for Multi-Channel Supervised Learning by Smaldone, Anthony M, Kyro, Gregory W, Batista, Victor S

“…As the rapidly evolving field of machine learning continues to produce incredibly useful tools and models, the potential for quantum computing to provide speed…”
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HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction by Kyro, Gregory W, Brent, Rafael I, Batista, Victor S

“…Applying deep learning concepts from image detection and graph theory has greatly advanced protein-ligand binding affinity prediction, a challenge with…”
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CardioGenAI: A Machine Learning-Based Framework for Re-Engineering Drugs for Reduced hERG Liability by Kyro, Gregory W, Martin, Matthew T, Watt, Eric D, Batista, Victor S

“…The link between in vitro hERG ion channel inhibition and subsequent in vivo QT interval prolongation, a critical risk factor for the development of arrythmias…”
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ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation by Kyro, Gregory W, Morgunov, Anton, Brent, Rafael I, Batista, Victor S

“…The incredible capabilities of generative artificial intelligence models have inevitably led to their application in the domain of drug discovery. Within this…”
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Quantum Machine Learning in Drug Discovery: Applications in Academia and Pharmaceutical Industries by Smaldone, Anthony M, Shee, Yu, Kyro, Gregory W, Xu, Chuzhi, Vu, Nam P, Dutta, Rishab, Farag, Marwa H, Galda, Alexey, Kumar, Sandeep, Kyoseva, Elica, Batista, Victor S

“…The nexus of quantum computing and machine learning - quantum machine learning - offers the potential for significant advancements in chemistry. This review…”
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