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Bryan C. Sanctuary - Related publications

Chemistry McGill University, Montreal, QC, Canada 
physical chemistry
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50 most relevant papers in past 60 days:
Year Citation  Score
2020 Boeszoermenyi A, Ogórek B, Jain A, Arthanari H, Wagner G. The precious fluorine on the ring: fluorine NMR for biological systems. Journal of Biomolecular Nmr. PMID 32651751 DOI: 10.1007/s10858-020-00331-z   
2020 Das S, Edison AS, Merz KM. Metabolite Structure Assignment Using in silico NMR Techniques. Analytical Chemistry. PMID 32608974 DOI: 10.1021/acs.analchem.0c00768   
2020 Waudby CA, Christodoulou J. NMR Lineshape Analysis of Intrinsically Disordered Protein Interactions. Methods in Molecular Biology (Clifton, N.J.). 2141: 477-504. PMID 32696373 DOI: 10.1007/978-1-0716-0524-0_24   
2020 Sestile S, Richardson D, Toomey R, Cool LG, Harper JK. NMR Structural Characterization from One-Bond C- C Couplings - Complete Assignment of a Hydrogen-poor Depsidone. Magnetic Resonance in Chemistry : Mrc. PMID 32687644 DOI: 10.1002/mrc.5077   
2020 Asakura T, Aoki A, Komatsu K, Ito C, Suzuki I, Naito A, Kaji H. A Lamellar Structure in Alanine-Glycine Copolypeptides Studied by Solid-State NMR Spectroscopy: A Model for the Crystalline Domain of Silk Fibroin in Silk II Form. Biomacromolecules. PMID 32603138 DOI: 10.1021/acs.biomac.0c00486   
2020 Long M, Ní Cheallaigh A, Reihill M, Oscarson S, Lahmann M. Synthesis of type 1 Lewis b hexasaccharide antigen structures featuring flexible incorporation of l-[U-C]-fucose for NMR binding studies. Organic & Biomolecular Chemistry. PMID 32478348 DOI: 10.1039/d0ob00426j   
2020 Potter ZE, Lau HT, Chakraborty S, Fang L, Guttman M, Ong SE, Fowler DM, Maly DJ. Parallel Chemoselective Profiling for Mapping Protein Structure. Cell Chemical Biology. PMID 32649906 DOI: 10.1016/j.chembiol.2020.06.014   
2020 Dass R, Mulder FAA. Paris-DÉCOR: A Protocol for the Determination of Fast Protein Backbone Amide Hydrogen Exchange Rates. Methods in Molecular Biology (Clifton, N.J.). 2141: 337-344. PMID 32696366 DOI: 10.1007/978-1-0716-0524-0_17   
2020 Schubeis T, Schwarzer TS, Le Marchand T, Stanek J, Movellan KT, Castiglione K, Pintacuda G, Andreas LB. Resonance assignment of the outer membrane protein AlkL in lipid bilayers by proton-detected solid-state NMR. Biomolecular Nmr Assignments. PMID 32607893 DOI: 10.1007/s12104-020-09964-5   
2020 Li Q, Kang C. A Practical Perspective on the Roles of Solution NMR Spectroscopy in Drug Discovery. Molecules (Basel, Switzerland). 25. PMID 32605297 DOI: 10.3390/molecules25132974   
2020 Sala D, Cerofolini L, Fragai M, Giachetti A, Luchinat C, Rosato A. A protocol to automatically calculate homo-oligomeric protein structures through the integration of evolutionary constraints and NMR ambiguous contacts. Computational and Structural Biotechnology Journal. 18: 114-124. PMID 31969972 DOI: 10.1016/j.csbj.2019.12.002   
2020 Rüdisser SH, Goldberg N, Ebert MO, Kovacs H, Gossert AD. Efficient affinity ranking of fluorinated ligands by F NMR: CSAR and FastCSAR. Journal of Biomolecular Nmr. PMID 32556806 DOI: 10.1007/s10858-020-00325-x   
2020 Grohe K, Patel S, Hebrank C, Medina S, Klein A, Rovó P, Vasa SK, Singh H, Vögeli B, Schäfer LV, Linser R. Protein Motional Details Revealed by Complementary Structural Biology Techniques. Structure (London, England : 1993). PMID 32579946 DOI: 10.1016/j.str.2020.06.001   
2020 Täubert S, Zhang YH, Maestre-Martinez M, Siepel F, Wöltjen E, Leonov A, Griesinger C. Lanthanide Tagging of Oligonucleotides to Nucleobase for Paramagnetic NMR. Chembiochem : a European Journal of Chemical Biology. PMID 32687667 DOI: 10.1002/cbic.202000417   
2020 Sun J, Frishman D. DeepHelicon: accurate prediction of inter-helical residue contacts in transmembrane proteins by residual neural networks. Journal of Structural Biology. 107574. PMID 32663598 DOI: 10.1016/j.jsb.2020.107574   
2020 Sagar A, Svergun D, Bernadó P. Structural Analyses of Intrinsically Disordered Proteins by Small-Angle X-Ray Scattering. Methods in Molecular Biology (Clifton, N.J.). 2141: 249-269. PMID 32696361 DOI: 10.1007/978-1-0716-0524-0_12   
2020 Softley CA, Bostock MJ, Popowicz GM, Sattler M. Paramagnetic NMR in drug discovery. Journal of Biomolecular Nmr. 74: 287-309. PMID 32524233 DOI: 10.1007/s10858-020-00322-0   
2020 Vagrys D, Davidson J, Chen I, Hubbard RE, Davis B. Exploring IDP-Ligand Interactions: tau K18 as A Test Case. International Journal of Molecular Sciences. 21. PMID 32722166 DOI: 10.3390/ijms21155257   
2020 Pal S, Banerjee S, Kumar A, Prabhakaran EN. H-Bond Surrogate-Stabilized Shortest Single-Turn α-Helices: sp Constraints and Residue Preferences for the Highest α-Helicities. Acs Omega. 5: 13902-13912. PMID 32566857 DOI: 10.1021/acsomega.0c01277   
2020 Zhou B, Alania Y, Reis M, Phansalkar RS, Nam JW, McAlpine JB, Chen SN, Bedran-Russo AK, Pauli GF. Tri- and Tetrameric Proanthocyanidins with Dentin Bioactivities from . The Journal of Organic Chemistry. PMID 32551610 DOI: 10.1021/acs.joc.0c00783   
2020 Hicks A, Escobar CA, Cross TA, Zhou HX. Sequence-Dependent Correlated Segments in the Intrinsically Disordered Region of ChiZ. Biomolecules. 10. PMID 32585849 DOI: 10.3390/biom10060946   
2020 Sluysmans D, Willet N, Thevenot J, Lecommandoux S, Duwez AS. Single-molecule mechanical unfolding experiments reveal a critical length for the formation of α-helices in peptides. Nanoscale Horizons. 5: 671-678. PMID 32226978 DOI: 10.1039/d0nh00036a   
2020 Deb A, Kaur Grewal R, Roy S, Mitra D. Residue Interaction Dynamics in Vaucheria Aureochrome1 LOV: Bridging Theory and Experiments. Proteins. PMID 32683714 DOI: 10.1002/prot.25984   
2020 Grant BJ, Skjaerven L, Yao XQ. The Bio3D Packages for Structural Bioinformatics. Protein Science : a Publication of the Protein Society. PMID 32734663 DOI: 10.1002/pro.3923   
2020 Romanov RS, Mariasina SS, Efimov SV, Klochkov VV, Rodina EV, Polshakov VI. Backbone resonance assignment and dynamics of 110 kDa hexameric inorganic pyrophosphatase from Mycobacterium tuberculosis. Biomolecular Nmr Assignments. PMID 32562252 DOI: 10.1007/s12104-020-09962-7   
2020 Yang F, Mao C, Guo L, Lin J, Ming Q, Xiao P, Wu X, Shen Q, Guo S, Shen DD, Lu R, Zhang L, Huang S, Ping Y, Zhang C, et al. Structural basis of GPBAR activation and bile acid recognition. Nature. PMID 32698187 DOI: 10.1038/s41586-020-2569-1   
2020 Frank M, Beccati D, Leeflang BR, Vliegenthart JFG. C-Mannosylation Enhances the Structural Stability of Human RNase 2. Iscience. 23: 101371. PMID 32739833 DOI: 10.1016/j.isci.2020.101371   
2020 Horst R, Farley KA, Kormos BL, Withka JM. NMR spectroscopy: the swiss army knife of drug discovery. Journal of Biomolecular Nmr. PMID 32617727 DOI: 10.1007/s10858-020-00330-0   
2020 Fields CR, Dicke SS, Petti MK, Zanni MT, Lomont JP. A Different hIAPP Polymorph Is Observed in Human Serum Than in Aqueous Buffer: Demonstration of a New Method for Studying Amyloid Fibril Structure Using Infrared Spectroscopy. The Journal of Physical Chemistry Letters. 6382-6388. PMID 32706257 DOI: 10.1021/acs.jpclett.0c01345   
2020 Sarkar D, Olejniczak ET, Phan J, Coker JA, Sai J, Arnold AL, Beesetty Y, Waterson AG, Fesik SW. Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods. Journal of Medicinal Chemistry. PMID 32673492 DOI: 10.1021/acs.jmedchem.0c00511   
2020 Delhommel F, Sattler M. When Less Is More: Combining Site-Specific Isotope Labeling and NMR Unravels Structural Details of Huntingtin Repeats. Structure (London, England : 1993). 28: 730-732. PMID 32640252 DOI: 10.1016/j.str.2020.06.005   
2020 Krieger S, Kececioglu J. Boosting the accuracy of protein secondary structure prediction through nearest neighbor search and method hybridization. Bioinformatics (Oxford, England). 36: i317-i325. PMID 32657384 DOI: 10.1093/bioinformatics/btaa336   
2020 Sullivan SS, Weinzierl ROJ. Optimization of Molecular Dynamics Simulations of c-MYC-An Intrinsically Disordered System. Life (Basel, Switzerland). 10. PMID 32664335 DOI: 10.3390/life10070109   
2020 Ruffolo JA, Guerra C, Mahajan SP, Sulam J, Gray JJ. Geometric potentials from deep learning improve prediction of CDR H3 loop structures. Bioinformatics (Oxford, England). 36: i268-i275. PMID 32657412 DOI: 10.1093/bioinformatics/btaa457   
2020 Pacheco S, Widjaja MA, Gomez JS, Crowhurst KA, Abrol R. The complex role of the N-terminus and acidic residues of HdeA as pH-dependent switches in its chaperone function. Biophysical Chemistry. 264: 106406. PMID 32593908 DOI: 10.1016/j.bpc.2020.106406   
2020 Bissaro M, Sturlese M, Moro S. The rise of molecular simulations in fragment-based drug design (FBDD): an overview. Drug Discovery Today. PMID 32592867 DOI: 10.1016/j.drudis.2020.06.023   
2020 Anggayasti WL, Ogino K, Yamamoto E, Helmerhorst E, Yasuoka K, Mancera RL. The acidic tail of HMGB1 regulates its secondary structure and conformational flexibility: A circular dichroism and molecular dynamics simulation study. Computational and Structural Biotechnology Journal. 18: 1160-1172. PMID 32514327 DOI: 10.1016/j.csbj.2020.05.012   
2020 Li X, Liu H, Gao C, Li Y, Jia D, Yang Y, Yang J, Wei Z, Jiang T, Yu R. ConoMode, a database for conopeptide binding modes. Database : the Journal of Biological Databases and Curation. 2020. PMID 32754758 DOI: 10.1093/database/baaa058   
2020 Li X, Liu H, Gao C, Li Y, Jia D, Yang Y, Yang J, Wei Z, Jiang T, Yu R. ConoMode, a database for conopeptide binding modes. Database : the Journal of Biological Databases and Curation. 2020. PMID 32754758 DOI: 10.1093/database/baaa058   
2020 Lüthje S, Ramanathan K. In Silico Analysis of Class III Peroxidases: Hypothetical Structure, Ligand Binding Sites, Posttranslational Modifications, and Interaction with Substrates. Methods in Molecular Biology (Clifton, N.J.). 2139: 325-339. PMID 32462597 DOI: 10.1007/978-1-0716-0528-8_24   
2020 Chakraborty R, Fan JS, Lai CC, Raghuvamsi PV, Chee PX, Anand GS, Yang D. Structural Basis of Oligomerization of N-Terminal Domain of Spider Aciniform Silk Protein. International Journal of Molecular Sciences. 21. PMID 32586030 DOI: 10.3390/ijms21124466   
2020 Shanafelt M, Rabara T, MacArt D, Williams C, Hekman R, Joo H, Tsai J, Vierra C. Structural Characterization of Black Widow Spider Dragline Silk Proteins CRP1 and CRP4. Molecules (Basel, Switzerland). 25. PMID 32674428 DOI: 10.3390/molecules25143212   
2020 Draxler SW, Bauer M, Eickmeier C, Nadal S, Nar H, Rangel Rojas D, Seeliger D, Zeeb M, Fiegen D. Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. Journal of Medicinal Chemistry. 63: 5856-5864. PMID 32420743 DOI: 10.1021/acs.jmedchem.0c00120   
2020 Baek M, Park T, Heo L, Seok C. Modeling Protein Homo-Oligomer Structures with GalaxyHomomer Web Server. Methods in Molecular Biology (Clifton, N.J.). 2165: 127-137. PMID 32621222 DOI: 10.1007/978-1-0716-0708-4_7   
2020 Li Q, Zhao D, Liu H, Zhang M, Jiang S, Xu X, Zhou G, Li C. "Rigid" structure is a key determinant for the low digestibility of myoglobin. Food Chemistry: X. 7: 100094. PMID 32617526 DOI: 10.1016/j.fochx.2020.100094   
2020 Zhou SD, Huang L, Meng L, Lin YF, Xu X, Dong MS. Soy protein isolate -(-)-epigallocatechin gallate conjugate: Covalent binding sites identification and IgE binding ability evaluation. Food Chemistry. 333: 127400. PMID 32673949 DOI: 10.1016/j.foodchem.2020.127400   
2020 Lindner S, Keller B, Pal Singh S, Hasenkamp Z, Jung E, Müller MC, Bourras S, Keller B. Single residues in the LRR domain of the wheat PM3A immune receptor can control the strength and the spectrum of the immune response. The Plant Journal : For Cell and Molecular Biology. PMID 32645755 DOI: 10.1111/tpj.14917   
2020 Linclau B, Ardá A, Reichardt NC, Sollogoub M, Unione L, Vincent SP, Jiménez-Barbero J. Fluorinated carbohydrates as chemical probes for molecular recognition studies. Current status and perspectives. Chemical Society Reviews. 49: 3863-3888. PMID 32520059 DOI: 10.1039/c9cs00099b   
2020 Hou J, Wu T, Guo Z, Quadir F, Cheng J. The MULTICOM Protein Structure Prediction Server Empowered by Deep Learning and Contact Distance Prediction. Methods in Molecular Biology (Clifton, N.J.). 2165: 13-26. PMID 32621217 DOI: 10.1007/978-1-0716-0708-4_2   
2020 Chen PC, Masiewicz P, Perez K, Hennig J. Structure-based screening of binding affinities via small-angle X-ray scattering. Iucrj. 7: 644-655. PMID 32695411 DOI: 10.1107/S2052252520004169