In silico screening of LRRK2 WDR domain inhibitors using deep docking and free energy simulations von Gutkin, Evgeny, Gusev, Filipp, Gentile, Francesco, Ban, Fuqiang, Koby, S Benjamin, Narangoda, Chamali, Isayev, Olexandr, Cherkasov, Artem, Kurnikova, Maria G

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Programmable Topology in New Families of Heterobimetallic Metal–Organic Frameworks von Muldoon, Patrick F, Liu, Chong, Miller, Carson C, Koby, S. Benjamin, Gamble Jarvi, Austin, Luo, Tian-Yi, Saxena, Sunil, O’Keeffe, Michael, Rosi, Nathaniel L

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High-throughput binding free energy simulations: Applications in drug discovery von Koby, S. Benjamin, Gutkin, Evgeny, Gusev, Filipp, Narangoda, Chamali M., Isayev, Olexandr, Kurnikova, Maria G.

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Management Software for Monitoring Related Versions of Cultural Heritage Artifacts for Libraries and Museums von Athreya, Anousha, S Koby Taswell, Taswell, Carl

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The hitchhiker's guide to scholarly research integrity von S Koby Taswell, Triggle, Christopher, Vayo, June, Dutta, Shiladitya, Taswell, Carl

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Storing bibliographic data in multiple formats with the NPDS cyberinfrastructure von S Koby Taswell, Uhegbu, Kelechi, Sohyb Mashkoor, Dutta, Shiladitya, Taswell, Carl

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Definitions, formulas, and simulated examples for plagiarism detection with FAIR metrics von Craig, Adam, Ambati, Adarsh, Dutta, Shiladitya, Mehrotra, Arush, S Koby Taswell, Taswell, Carl

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DockQ: A Quality Measure for Protein-Protein Docking Models von Basu, Sankar, Wallner, Björn

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Certification and Job Task Analysis (JTA): Establishing validity of translator certification examinations von Koby, Geoffrey, Melby, Alan K.

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Welcome to the real world: Professional-level translator certification von Koby, Geoffrey, Champe, Gertrud

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Guidelines for the fitting of anomalous diffusion mean square displacement graphs from single particle tracking experiments von Kepten, Eldad, Weron, Aleksander, Sikora, Grzegorz, Burnecki, Krzysztof, Garini, Yuval

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Functional Advantages of Conserved Intrinsic Disorder in RNA-Binding Proteins von Varadi, Mihaly, Zsolyomi, Fruzsina, Guharoy, Mainak, Tompa, Peter

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Rapid prediction of key residues for foldability by machine learning model enables the design of highly functional libraries with hyperstable constrained peptide scaffolds von Cai, Fei, Wei, Yuehua, Kirchhofer, Daniel, Chang, Andrew, Zhang, Yingnan

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Rosetta FlexPepDock to predict peptide-MHC binding: An approach for non-canonical amino acids von Bloodworth, Nathaniel, Barbaro, Natália Ruggeri, Moretti, Rocco, Harrison, David G, Meiler, Jens

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Mechanical stress and anionic lipids synergistically stabilize an atypical structure of the angiotensin II type 1 receptor (AT1) von Ben Boubaker, Rym, Henrion, Daniel, Chabbert, Marie

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Inference and design of antibody specificity: From experiments to models and back von Fernandez-de-Cossio-Diaz, Jorge, Uguzzoni, Guido, Ricard, Kévin, Anselmi, Francesca, Nizak, Clément, Pagnani, Andrea, Rivoire, Olivier

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General amyloid inhibitors? A critical examination of the inhibition of IAPP amyloid formation by inositol stereoisomers von Wang, Hui, Raleigh, Daniel P

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Interdomain dynamics in human Replication Protein A regulates kinetics and thermodynamics of its binding to ssDNA von Sangeeta, Bhattacherjee, Arnab

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How molecular motors work in the crowded environment of living cells: coexistence and efficiency of normal and anomalous transport von Goychuk, Igor, Kharchenko, Vasyl O, Metzler, Ralf

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Programming co-assembled peptide nanofiber morphology via anionic amino acid type: Insights from molecular dynamics simulations von Dong, Xin Y, Liu, Renjie, Seroski, Dillon T, Hudalla, Gregory A, Hall, Carol K

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