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Crystal structure

Phase, microstructure and service character of as-deposited and short-time heat-treated Ni-Mo alloys with mixed state

Hong Xu, Ning Li, [ ... ], Weizeng Chen

Unraveling the unbinding pathways of SARS-CoV-2 Papain-like proteinase known inhibitors by Supervised Molecular Dynamics simulation

Farzin Sohraby, Hassan Aryapour

Computational designing of a peptide that potentially blocks the entry of SARS-CoV, SARS-CoV-2 and MERS-CoV

Priya V. K., Satish Prasad Rath, Parvin Abraham

Crystal and solution structures reveal oligomerization of individual capsid homology domains of Drosophila Arc

Erik I. Hallin, Sigurbjörn Markússon, [ ... ], Petri Kursula

Heterogeneous multimeric structure of isocitrate lyase in complex with succinate and itaconate provides novel insights into its inhibitory mechanism

Sunghark Kwon, Hye Lin Chun, [ ... ], Hyun Ho Park

Beyond dissolution: Xerostomia rinses affect composition and structure of biomimetic dental mineral in vitro

Mikayla M. Moynahan, Stephanie L. Wong, Alix C. Deymier

Observing spontaneous, accelerated substrate binding in molecular dynamics simulations of glutamate transporters

Jiali Wang, Peifan Li, Xiaozhen Yu, Christof Grewer

High-throughput screening of the ReFRAME, Pandemic Box, and COVID Box drug repurposing libraries against SARS-CoV-2 nsp15 endoribonuclease to identify small-molecule inhibitors of viral activity

Ryan Choi, Mowei Zhou, [ ... ], Wesley C. Van Voorhis

Structural and thermodynamic analysis of factors governing the stability and thermal folding/unfolding of SazCA

Shashi Kumar, Parag A. Deshpande

Structure of the E. coli agmatinase, SPEB

Iva Chitrakar, Syed Fardin Ahmed, Andrew T. Torelli, Jarrod B. French

Characterization of a broadly specific cadaverine N-hydroxylase involved in desferrioxamine B biosynthesis in Streptomyces sviceus

Lesley-Ann Giddings, George T. Lountos, [ ... ], David S. Waugh

Structure of the EphB6 receptor ectodomain

Emilia O. Mason, Yehuda Goldgur, [ ... ], Juha P. Himanen

Robustification of RosettaAntibody and Rosetta SnugDock

Jeliazko R. Jeliazkov, Rahel Frick, Jing Zhou, Jeffrey J. Gray

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