Evaluating protein structures determined by structural genomics consortia von Bhattacharya, Aneerban, Tejero, Roberto, Montelione, Gaetano T.

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Recommendations of the wwPDB NMR Validation Task Force von Montelione, Gaetano T., Nilges, Michael, Bax, Ad, Güntert, Peter, Herrmann, Torsten, Richardson, Jane S., Schwieters, Charles D., Vranken, Wim F., Vuister, Geerten W., Wishart, David S., Berman, Helen M., Kleywegt, Gerard J., Markley, John L.

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Control over overall shape and size in de novo designed proteins von Lin, Yu-Ru, Koga, Nobuyasu, Tatsumi-Koga, Rie, Liu, Gaohua, Clouser, Amanda F., Montelione, Gaetano T., Baker, David

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Hepatitis C virus drugs that inhibit SARS-CoV-2 papain-like protease synergize with remdesivir to suppress viral replication in cell culture von Bafna, Khushboo, White, Kris, Harish, Balasubramanian, Rosales, Romel, Ramelot, Theresa A., Acton, Thomas B., Moreno, Elena, Kehrer, Thomas, Miorin, Lisa, Royer, Catherine A., García-Sastre, Adolfo, Krug, Robert M., Montelione, Gaetano T.

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Role of backbone strain in de novo design of complex α/β protein structures von Koga, Nobuyasu, Koga, Rie, Liu, Gaohua, Castellanos, Javier, Montelione, Gaetano T., Baker, David

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Assessment of template-based protein structure predictions in CASP10 von Huang, Yuanpeng J., Mao, Binchen, Aramini, James M., Montelione, Gaetano T.

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Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples von Lange, Oliver F, Rossi, Paolo, Sgourakis, Nikolaos G, Song, Yifan, Lee, Hsiau-Wei, Aramini, James M, Ertekin, Asli, Xiao, Rong, Acton, Thomas B, Montelione, Gaetano T, Baker, David

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Structural/Functional Properties of Human NFU1, an Intermediate [4Fe-4S] Carrier in Human Mitochondrial Iron-Sulfur Cluster Biogenesis von Cai, Kai, Liu, Gaohua, Frederick, Ronnie O., Xiao, Rong, Montelione, Gaetano T., Markley, John L.

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Consistent blind protein structure generation from NMR chemical shift data von Shen, Yang, Lange, Oliver, Delaglio, Frank, Rossi, Paolo, Aramini, James M, Liu, Gaohua, Eletsky, Alexander, Wu, Yibing, Singarapu, Kiran K, Lemak, Alexander, Ignatchenko, Alexandr, Arrowsmith, Cheryl H, Szyperski, Thomas, Montelione, Gaetano T, Baker, David, Bax, Ad

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REDCRAFT: A computational platform using residual dipolar coupling NMR data for determining structures of perdeuterated proteins in solution von Cole, Casey A, Daigham, Nourhan S, Liu, Gaohua, Montelione, Gaetano T, Valafar, Homayoun

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Enzyme Engineering Based on X‑ray Structures and Kinetic Profiling of Substrate Libraries: Alcohol Dehydrogenases for Stereospecific Synthesis of a Broad Range of Chiral Alcohols von Nie, Yao, Wang, Shanshan, Xu, Yan, Luo, Shenggan, Zhao, Yi-Lei, Xiao, Rong, Montelione, Gaetano T, Hunt, John F, Szyperski, Thomas

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High-Throughput PIXE as an Essential Quantitative Assay for Accurate Metalloprotein Structural Analysis: Development and Application von Grime, Geoffrey W, Zeldin, Oliver B, Snell, Mary E, Lowe, Edward D, Hunt, John F, Montelione, Gaetano T, Tong, Liang, Snell, Edward H, Garman, Elspeth F

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NMR Structure Determination for Larger Proteins Using Backbone-Only Data von Raman, Srivatsan, Lange, Oliver F, Rossi, Paolo, Tyka, Michael, Wang, Xu, Aramini, James, Liu, Gaohua, Ramelot, Theresa A, Eletsky, Alexander, Szyperski, Thomas, Kennedy, Michael A, Prestegard, James, Montelione, Gaetano T, Baker, David

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A General Computational Approach for Repeat Protein Design von Parmeggiani, Fabio, Huang, Po-Ssu, Vorobiev, Sergey, Xiao, Rong, Park, Keunwan, Caprari, Silvia, Su, Min, Seetharaman, Jayaraman, Mao, Lei, Janjua, Haleema, Montelione, Gaetano T., Hunt, John, Baker, David

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AlphaFold Models of Small Proteins Rival the Accuracy of Solution NMR Structures von Tejero, Roberto, Huang, Yuanpeng Janet, Ramelot, Theresa A, Montelione, Gaetano T

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Computational Design of a Protein-Based Enzyme Inhibitor von Procko, Erik, Hedman, Rickard, Hamilton, Keith, Seetharaman, Jayaraman, Fleishman, Sarel J., Su, Min, Aramini, James, Kornhaber, Gregory, Hunt, John F., Tong, Liang, Montelione, Gaetano T., Baker, David

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Protein NMR Recall, Precision, and F-measure Scores (RPF Scores):  Structure Quality Assessment Measures Based on Information Retrieval Statistics von Huang, Yuanpeng J, Powers, Robert, Montelione, Gaetano T

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Structural similarities between SARS-CoV2 3CLpro and other viral proteases suggest potential lead molecules for developing broad spectrum antivirals von Bafna, Khushboo, Cioffi, Christopher L., Krug, Robert M., Montelione, Gaetano T.

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The Protein Structure Initiative: achievements and visions for the future von Montelione, Gaetano T

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PDBStat: a universal restraint converter and restraint analysis software package for protein NMR von Tejero, Roberto, Snyder, David, Mao, Binchen, Aramini, James M., Montelione, Gaetano T.

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