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Nature Communications|February 21, 2024
Design of target specific peptide inhibitors using generative deep learning and molecular dynamics simulationsSijie Chen, Tong Lin, Ruchira Basu, et al.The Journal of Biological Chemistry|July 26, 2011
Small angle neutron scattering reveals pH-dependent conformational changes in Trichoderma reesei cellobiohydrolase I: implications for enzymatic activitySai Venkatesh Pingali, Hugh M O'Neill, Joseph McGaughey, et al.Biophysical Journal|August 19, 2021
Lpp positions peptidoglycan at the AcrA-TolC interface in the AcrAB-TolC multidrug efflux pumpJames C Gumbart, Josie L Ferreira, Hyea Hwang, et al.Computing in Science & Engineering|August 8, 2022
Supercomputing Pipelines Search for Therapeutics Against COVID-19Josh Vincent Vermaas, Ada Sedova, Matthew B Baker, et al.Scientific Reports|September 21, 2017
Dynamics of water bound to crystalline celluloseHugh O'Neill, Sai Venkatesh Pingali, Loukas Petridis, et al.Insects|November 17, 2019
Insecticidal and Antifeedant Activities of Malagasy Medicinal Plant (Cinnamosma sp.) Extracts and Drimane-Type Sesquiterpenes against Aedes aegypti MosquitoesEdna Alfaro Inocente, Bao Nguyen, Preston K Manwill, et al.The Journal of Biological Chemistry|July 29, 2021
Covalent inhibition of hAChE by organophosphates causes homodimer dissociation through long-range allosteric effectsDonald K Blumenthal, Xiaolin Cheng, Mikolai Fajer, et al.The Journal of Biological Chemistry|August 1, 2025
Sialic Acid Identity Modulates Host Tropism of Sialoglycan-binding Viridans Group StreptococciKeAndreya M Morrison, Rupesh Agarwal, Haley E Stubbs, et al.Biophysical Journal|October 16, 2012
Dynamics of protein and its hydration water: neutron scattering studies on fully deuterated GFPJonathan D Nickels, Hugh O'Neill, Liang Hong, et al.The Journal of Clinical Investigation|December 5, 2017
Polycystin-1 interacts with TAZ to stimulate osteoblastogenesis and inhibit adipogenesisZhousheng Xiao, Jerome Baudry, Li Cao, et al.Pageof 48