nuclear scaffold The network of protein fibres that underlies the nuclear inner membrane and is exposed upon extraction of soluble proteins from the nucleus. For ease of computation, we convert a molecular graph to a scaffolding tree as a higher-level representation, a tree of substructures, following. is a Les Turner ALS Research Center Investigator and a New York Stem Cell Foundation–Robertson Investigator.Here, we focus on the Weighted Holistic Atom Localization and Entity Shape (WHALES) descriptors, which were originally designed for scaffold hopping from natural products to synthetic molecules. This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under contract no. DND-CAT is supported by Northwestern University, The Dow Chemical Company, and DuPont de Nemours, Inc. Portions of this work were performed at the DuPont-Northwestern-Dow Collaborative Access Team (DND-CAT) located at Sector 5 of the Advanced Photon Source (APS). NMR and Fourier transform infrared spectroscopy characterization in this work made use of IMSERC at Northwestern University, which has received support from the SHyNE Resource (NSF ECCS-1542205), the State of Illinois, and IIN. Electron microscopy experiments were performed at the Electron Probe Instrumentation Center (EPIC) and the BioCryo facility of Northwestern University’s NUANCE Center, both of which have received support from the SHyNE Resource (NSF ECCS-1542205) the MRSEC program (NSF DMR-1720139) at the Materials Research Center the International Institute for Nanotechnology (IIN) the Keck Foundation and the State of Illinois, through the IIN. Tissue processing was performed at the Pathology Core Facility supported by NCI CA060553 awarded to the Robert H. Multiphoton microscopy was performed on a Nikon A1R multiphoton microscope, acquired with support from NIH 1S10OD010398-01. Spinning disk confocal microscopy was performed on an Andor XDI revolution microscope, purchased through the support of NCRR 1S10 RR031680-01. Both of these facilities are generously supported by NCI CCSG P30 CA060553 awarded to the Robert H. Imaging work was performed at the Center for Advanced Microscopy, and CD measurements were performed at the Northwestern University Keck Biophysics facility. These facilities have support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS – 1542205). We thank the Peptide Synthesis Core and the Analytical Bionanotechnology Equipment Core at the Simpson Querrey Institute for Bionanotechnology for biological and chemical analyses. and S.M.C.), and the French Muscular Dystrophy Association (J.A.O.) for graduate and postdoctoral fellowships. We thank the Paralyzed Veterans of America (PVA) Research Foundation PVA17RF0008 (Z.A.), the National Science Foundation (A.N.K.-E. Part of the biological experiments reported here was supported by the National Institute on Neurological Disorders and Stroke (NINDS) and the National Institute on Aging (NIA) R01NS104219 (E.K.), NIH/NINDS grants R21NS107761 and R21NS107761-01A1 (E.K.), the Les Turner ALS Foundation (E.K.), and the New York Stem Cell Foundation (E.K.). Work on NMR analysis was supported by the Air Force Research Laboratory under agreement no. Querrey Center for Regenerative Nanomedicine at the Simpson Querrey Institute for BioNanotechnology (S.I.S.). Funding: The experimental work and simulations were supported by the Louis A.
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