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Fraser A. Hof, Ph.D. - Related publications

1998-2003 Scripps Research Institute, La Jolla, La Jolla, CA, United States 
 2005- Chemistry University of Victoria, Victoria, British Columbia, Canada 
molecular recognition and self-assembling systems
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32 most relevant papers in past 60 days:
Year Citation  Score
2021 Sepay N, Saha PC, Shahzadi Z, Chakraborty A, Halder UC. A crystallography-based investigation of weak interactions for drug design against COVID-19. Physical Chemistry Chemical Physics : Pccp. 23: 7261-7270. PMID 33876086 DOI: 10.1039/d0cp05714b   
2021 Kröger P, Shanmugaratnam S, Ferruz N, Schweimer K, Höcker B. A comprehensive binding study illustrates ligand recognition in the periplasmic binding protein PotF. Structure (London, England : 1993). 29: 433-443.e4. PMID 33406388 DOI: 10.1016/j.str.2020.12.005   
2021 Wang Z, Chen T, Liu H, Zhao XL, Hu WB, Yang H, Liu YA, Wen K. Pillar[5]arene-Derived -Functionalized Molecular Tube for Mimicking Protein-Ligand Interactions. The Journal of Organic Chemistry. PMID 33872006 DOI: 10.1021/acs.joc.1c00314   
2021 Chen J, Horton J, Sagum C, Zhou J, Cheng X, Bedford MT. Histone H3 N-terminal mimicry drives a novel network of methyl-effector interactions. The Biochemical Journal. PMID 33969871 DOI: 10.1042/BCJ20210203   
2021 Park SH, Siddiqi H, Castro DV, De Angelis AA, Oom AL, Stoneham CA, Lewinski MK, Clark AE, Croker BA, Carlin AF, Guatelli J, Opella SJ. Interactions of SARS-CoV-2 envelope protein with amilorides correlate with antiviral activity. Plos Pathogens. 17: e1009519. PMID 34003853 DOI: 10.1371/journal.ppat.1009519   
2021 Zaman N, Azam SS. From normal to competo-allosteric regulation: insights into the binding pattern dynamics of DSPI protein of . Journal of Biomolecular Structure & Dynamics. 39: 538-557. PMID 31903856 DOI: 10.1080/07391102.2020.1711805   
2021 Almeida BC, Kaczmarek JA, Figueiredo PR, Prather KLJ, Carvalho ATP. Transcription factor allosteric regulation through substrate coordination to zinc. Nar Genomics and Bioinformatics. 3: lqab033. PMID 33987533 DOI: 10.1093/nargab/lqab033   
2021 Pelosi C, Saitta F, Zerino C, Canil G, Biver T, Pratesi A, Duce C, Fessas D, Gabbiani C, Tiné MR. Thermodynamic Evaluation of the Interactions between Anticancer Pt(II) Complexes and Model Proteins. Molecules (Basel, Switzerland). 26. PMID 33921819 DOI: 10.3390/molecules26082376   
2021 Di Nardo G, Di Venere A, Zhang C, Nicolai E, Castrignanò S, Di Paola L, Gilardi G, Mei G. Polymorphism on human aromatase affects protein dynamics and substrate binding: spectroscopic evidence. Biology Direct. 16: 8. PMID 33902660 DOI: 10.1186/s13062-021-00292-9   
2021 Vasilakaki S, Kraml J, Schauperl M, Liedl KR, Kokotos G. Hydration thermodynamics of cytosolic phospholipase A GIVA predict its membrane-associated parts and its highly hydrated binding site. Journal of Biomolecular Structure & Dynamics. 39: 953-959. PMID 32085688 DOI: 10.1080/07391102.2020.1733665   
2021 Huang Y, Mu K, Teng X, Zhao Y, Funato Y, Miki H, Zhu W, Xu Z, Hattori M. Identification and mechanistic analysis of an inhibitor of the CorC Mg transporter. Iscience. 24: 102370. PMID 33912817 DOI: 10.1016/j.isci.2021.102370   
2021 Ge Y, Zhang S, Erdelyi M, Voelz VA. Solution-State Preorganization of Cyclic β-Hairpin Ligands Determines Binding Mechanism and Affinities for MDM2. Journal of Chemical Information and Modeling. PMID 33905247 DOI: 10.1021/acs.jcim.1c00029   
2021 Koehl P, Delarue M, Orland H. Simultaneous Identification of Multiple Binding Sites in Proteins: A Statistical Mechanics Approach. The Journal of Physical Chemistry. B. PMID 33973782 DOI: 10.1021/acs.jpcb.1c02658   
2021 Pattanayak BS, Dehury B, Priyadarshinee M, Jha S, Beuria TK, Soren D, Mallick BC. Kanamycin-Mediated Conformational Dynamics of Outer Membrane Protein TolC. Frontiers in Molecular Biosciences. 8: 636286. PMID 33937327 DOI: 10.3389/fmolb.2021.636286   
2021 Sharma J, Bhardwaj VK, Das P, Purohit R. Plant-based analogues identified as potential inhibitor against tobacco mosaic virus: A biosimulation approach. Pesticide Biochemistry and Physiology. 175: 104858. PMID 33993976 DOI: 10.1016/j.pestbp.2021.104858   
2021 Etzion-Fuchs A, Todd DA, Singh M. dSPRINT: predicting DNA, RNA, ion, peptide and small molecule interaction sites within protein domains. Nucleic Acids Research. PMID 33999210 DOI: 10.1093/nar/gkab356   
2021 Prabhu D, Rajamanikandan S, Sureshan M, Jeyakanthan J, Saraboji K. Modelling studies reveal the importance of the C-terminal inter motif loop of NSP1 as a promising target site for drug discovery and screening of potential phytochemicals to combat SARS-CoV-2. Journal of Molecular Graphics & Modelling. 106: 107920. PMID 33933885 DOI: 10.1016/j.jmgm.2021.107920   
2021 Bapli A, Chatterjee A, Gautam RK, Jana R, Seth D. Modulation of the Protein-Ligand Interaction in the Presence of Graphene Oxide: a Detailed Spectroscopic Study. Langmuir : the Acs Journal of Surfaces and Colloids. 37: 5034-5048. PMID 33847123 DOI: 10.1021/acs.langmuir.1c00534   
2021 Sora V, Sanchez D, Papaleo E. Bcl-xL Dynamics under the Lens of Protein Structure Networks. The Journal of Physical Chemistry. B. PMID 33848145 DOI: 10.1021/acs.jpcb.0c11562   
2021 Nemat SJ, Van den Eynden D, Deblock L, Heilmann M, Köster JM, Parvizian M, Tiefenbacher K, De Roo J. Resorcin[4]arene-based multidentate phosphate ligands with superior binding affinity for nanocrystal surfaces. Chemical Communications (Cambridge, England). 57: 4694-4697. PMID 33977984 DOI: 10.1039/d1cc00223f   
2021 Saravanan K, Karthikeyan S, Sugarthi S, Stephen AD. Binding studies of known molecules with acetylcholinesterase and bovine serum albumin: A comparative view. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 259: 119856. PMID 33979725 DOI: 10.1016/j.saa.2021.119856   
2021 Sahu SN, Satpathy SS, Mohanty C, Pattanayak SK. Computational study to evaluate the potency of phytochemicals in and the impact of point mutation on cyclin-dependent kinase 2-associated protein 1. Journal of Biomolecular Structure & Dynamics. 1-15. PMID 33876720 DOI: 10.1080/07391102.2021.1914169   
2021 Kim K, Kirby TW, Perera L, London RE. Phosphopeptide interactions of the Nbs1 N-terminal FHA-BRCT1/2 domains. Scientific Reports. 11: 9046. PMID 33907233 DOI: 10.1038/s41598-021-88400-7   
2021 Yan NL, Santos-Martins D, Nair R, Chu A, Wilson IA, Johnson KA, Forli S, Morgan GJ, Petrassi HM, Kelly JW. Discovery of Potent Coumarin-Based Kinetic Stabilizers of Amyloidogenic Immunoglobulin Light Chains Using Structure-Based Design. Journal of Medicinal Chemistry. PMID 33939422 DOI: 10.1021/acs.jmedchem.1c00339   
2021 Schuurs ZP, Hammond E, Elli S, Rudd TR, Mycroft-West CJ, Lima MA, Skidmore MA, Karlsson R, Chen YH, Bagdonaite I, Yang Z, Ahmed YA, Richard DJ, Turnbul J, Ferro V, et al. Evidence of a Putative Glycosaminoglycan Binding Site on the Glycosylated SARS-CoV-2 Spike Protein N-terminal domain. Computational and Structural Biotechnology Journal. PMID 33968333 DOI: 10.1016/j.csbj.2021.05.002   
2021 Forouzesh N, Mishra N. An Effective MM/GBSA Protocol for Absolute Binding Free Energy Calculations: A Case Study on SARS-CoV-2 Spike Protein and the Human ACE2 Receptor. Molecules (Basel, Switzerland). 26. PMID 33923909 DOI: 10.3390/molecules26082383   
2021 Juber S, Wingbermühle S, Nuernberger P, Clever GH, Schäfer LV. Thermodynamic driving forces of guest confinement in a photoswitchable cage. Physical Chemistry Chemical Physics : Pccp. 23: 7321-7332. PMID 33876092 DOI: 10.1039/d0cp06495e   
2021 Vanga SR, Åqvist J, Hallberg A, Gutiérrez-de-Terán H. Structural Basis of Inhibition of Human Insulin-Regulated Aminopeptidase (IRAP) by Benzopyran-Based Inhibitors. Frontiers in Molecular Biosciences. 8: 625274. PMID 33869280 DOI: 10.3389/fmolb.2021.625274   
2021 Williams AH, Zhan CG. Fast Prediction of Binding Affinities of the SARS-CoV-2 Spike Protein Mutant N501Y (UK Variant) with ACE2 and Miniprotein Drug Candidates. The Journal of Physical Chemistry. B. PMID 33881861 DOI: 10.1021/acs.jpcb.1c00869   
2021 Zia M, Muhammad S, Shafiq-urRehman, Bibi S, Abbasi SW, Al-Sehemi AG, Chaudhary AR, Bai FQ. Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies. Bioorganic & Medicinal Chemistry Letters. 43: 128079. PMID 33940136 DOI: 10.1016/j.bmcl.2021.128079   
2021 Hoq MR, Vago FS, Li K, Kovaliov M, Nicholas RJ, Huryn DM, Wipf P, Jiang W, Thompson DH. Affinity Capture of p97 with Small-Molecule Ligand Bait Reveals a 3.6 Å Double-Hexamer Cryoelectron Microscopy Structure. Acs Nano. PMID 33900731 DOI: 10.1021/acsnano.0c10185   
2021 Heilmann M, Knezevic M, Piccini G, Tiefenbacher K. Understanding the binding properties of phosphorylated glycoluril-derived molecular tweezers and selective nanomolar binding of natural polyamines in aqueous solution. Organic & Biomolecular Chemistry. 19: 3628-3633. PMID 33908553 DOI: 10.1039/d1ob00379h