Search Results - "Grigas, Alex T."

Water Network Dynamics Next to the Oxygen-Evolving Complex of Photosystem II by Reiss, Krystle, Morzan, Uriel, Grigas, Alex, Batista, Victor

“…The influence of the environment on the functionality of the oxygen-evolving complex (OEC) of photosystem II has long been a subject of great interest. In…”
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Lipid Vesicle-Coated Complex Coacervates by Pir Cakmak, Fatma, Grigas, Alex T, Keating, Christine D

“…Compartmentalization by complex coacervation is important across a range of different fields including subcellular and prebiotic organization, biomedicine,…”
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Core packing of well‐defined X‐ray and NMR structures is the same by Grigas, Alex T., Liu, Zhuoyi, Regan, Lynne, O'Hern, Corey S.

“…Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR spectroscopy and those determined by…”
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Identifying the minimal sets of distance restraints for FRET ‐assisted protein structural modeling by Liu, Zhuoyi, Grigas, Alex T., Sumner, Jacob, Knab, Edward, Davis, Caitlin M., O'Hern, Corey S.

“…Proteins naturally occur in crowded cellular environments and interact with other proteins, nucleic acids, and organelles. Since most previous experimental…”
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Analyses of protein cores reveal fundamental differences between solution and crystal structures by Mei, Zhe, Treado, John D., Grigas, Alex T., Levine, Zachary A., Regan, Lynne, O'Hern, Corey S.

“…There have been several studies suggesting that protein structures solved by NMR spectroscopy and X‐ray crystallography show significant differences. To…”
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Using physical features of protein core packing to distinguish real proteins from decoys by Grigas, Alex T., Mei, Zhe, Treado, John D., Levine, Zachary A., Regan, Lynne, O'Hern, Corey S.

“…The ability to consistently distinguish real protein structures from computationally generated model decoys is not yet a solved problem. One route to…”
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Cover Image, Volume 88, Issue 9 by Mei, Zhe, Treado, John D., Grigas, Alex T., Levine, Zachary A., Regan, Lynne, O'Hern, Corey S.

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Protein folding as a jamming transition by Grigas, Alex T, Liu, Zhuoyi, Logan, Jack A, Shattuck, Mark D, O'Hern, Corey S

“…Proteins fold to a specific functional conformation with a densely packed hydrophobic core that controls their stability. We develop a geometric, yet all-atom…”
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Identifying the minimal sets of distance restraints for FRET-assisted protein structural modeling by Liu, Zhuoyi, Grigas, Alex T, Sumner, Jacob, Knab, Edward, Davis, Caitlin M, O'Hern, Corey S

“…Proteins naturally occur in crowded cellular environments and interact with other proteins, nucleic acids, and organelles. Since most previous experimental…”
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Core packing of well-defined x-ray and NMR structures is the same by Grigas, Alex T, Liu, Zhuoyi, Regan, Lynne, O'Hern, Corey S

“…Protein Science 31 (2022) e4373 Numerous studies have investigated the differences and similarities between protein structures determined by solution NMR…”
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The connection between polymer collapse and the onset of jamming by Grigas, Alex T, Fisher, Aliza, Shattuck, Mark D, O'Hern, Corey S

“…Phys. Rev. E 109, 034406 (2024) Previous studies have shown that the interiors of proteins are densely packed, reaching packing fractions that are as large as…”
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Assessment of scoring functions for computational models of protein-protein interfaces by Sumner, Jacob, Meng, Grace, Brandt, Naomi, Grigas, Alex T, Córdoba, Andrés, Shattuck, Mark D, O'Hern, Corey S

“…A goal of computational studies of protein-protein interfaces (PPIs) is to predict the binding site between two monomers that form a heterodimer. The simplest…”
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ProtSCAPE: Mapping the landscape of protein conformations in molecular dynamics by Viswanath, Siddharth, Bhaskar, Dhananjay, Johnson, David R, Rocha, Joao Felipe, Castro, Egbert, Grady, Jackson D, Grigas, Alex T, Perlmutter, Michael A, O'Hern, Corey S, Krishnaswamy, Smita

“…Understanding the dynamic nature of protein structures is essential for comprehending their biological functions. While significant progress has been made in…”
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Using physical features of protein core packing to distinguish real proteins from decoys by Grigas, Alex T, Mei, Zhe, Treado, John D, Levine, Zachary A, Regan, Lynne, O'Hern, Corey S

“…Protein Science 29 (2020) 1931 The ability to consistently distinguish real protein structures from computationally generated model decoys is not yet a solved…”
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Analyses of protein cores reveal fundamental differences between solution and crystal structures by Mei, Zhe, Treado, John D, Grigas, Alex T, Levine, Zachary A, Regan, Lynne, O'Hern, Corey S

“…Proteins: Structure, Function, and Bioinformatics 88 (2020) 1154 There have been several studies suggesting that protein structures solved by NMR spectroscopy…”
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Current MD forcefields fail to capture key features of protein structure and fluctuations: A case study of cyclophilin A and T4 lysozyme by Mei, Zhe, Grigas, Alex T, Treado, John D, Corres, Gabriel Melendez, Vuorte, Maisa, Sammalkorpi, Maria, Regan, Lynne, Levine, Zachary A, O'Hern, Corey S

“…Globular proteins undergo thermal fluctuations in solution, while maintaining an overall well-defined folded structure. In particular, studies have shown that…”
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