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Crystal structure

Robustification of RosettaAntibody and Rosetta SnugDock

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

published 25 Mar 2021

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Naegleria fowleri: Protein structures to facilitate drug discovery for the deadly, pathogenic free-living amoeba

Logan Tillery, Kayleigh Barrett, Jenna Goldstein, Jared W. Lassner, Bram Osterhout, Nathan L. Tran, Lily Xu, Ryan M. Young, Justin Craig, Ian Chun, David M. Dranow, Jan Abendroth, Silvia L. Delker, Douglas R. Davies, Stephen J. Mayclin, Brandy Calhoun, Madison J. Bolejack, Bart Staker, Sandhya Subramanian, Isabelle Phan, Donald D. Lorimer, Peter J. Myler, Thomas E. Edwards, Dennis E. Kyle, Christopher A. Rice, James C. Morris, James W. Leahy, Roman Manetsch, Lynn K. Barrett, Craig L. Smith, Wesley C. Van Voorhis

published 24 Mar 2021

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A comprehensive SARS-CoV-2 genomic analysis identifies potential targets for drug repurposing

Nithishwer Mouroug Anand, Devang Haresh Liya, Arpit Kumar Pradhan, Nitish Tayal, Abhinav Bansal, Sainitin Donakonda, Ashwin Kumar Jainarayanan

published 18 Mar 2021

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Fungal GH25 muramidases: New family members with applications in animal nutrition and a crystal structure at 0.78Å resolution

Olga V. Moroz, Elena Blagova, Edward Taylor, Johan P. Turkenburg, Lars K. Skov, Garry P. Gippert, Kirk M. Schnorr, Li Ming, Liu Ye, Mikkel Klausen, Marianne T. Cohn, Esben G. W. Schmidt, Søren Nymand-Grarup, Gideon J. Davies, Keith S. Wilson

published 12 Mar 2021

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Non-invasive intradermal imaging of cystine crystals in cystinosis

Marya Bengali, Spencer Goodman, Xiaoying Sun, Magdalene A. Dohil, Ranjan Dohil, Robert Newbury, Tatiana Lobry, Laura Hernandez, Corinne Antignac, Sonia Jain, Stephanie Cherqui

published 04 Mar 2021

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A convenient approach to synthesize substituted 5-Arylidene-3-m-tolyl thiazolidine-2, 4-diones by using morpholine as a catalyst and its theoretical study

Khorshada Jahan, Kaif Rashid Khan, Kawsari Akhter, Umme Kulsum Rowzatur Romman, Ershad Halim

published 04 Mar 2021

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Quick self-assembly of bio-inspired multi-dimensional well-ordered structures induced by ultrasonic wave energy

Connor Murphy, Yunqi Cao, Nelson Sepúlveda, Wei Li

published 24 Feb 2021

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SARS-CoV-2 genetic diversity in Venezuela: Predominance of D614G variants and analysis of one outbreak

Carmen L. Loureiro, Rossana C. Jaspe, Pierina D´Angelo, José L. Zambrano, Lieska Rodriguez, Víctor Alarcon, Mariangel Delgado, Marwan Aguilar, Domingo Garzaro, Héctor R. Rangel, Flor H. Pujol

published 19 Feb 2021

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Mapping major SARS-CoV-2 drug targets and assessment of druggability using computational fragment screening: Identification of an allosteric small-molecule binding site on the Nsp13 helicase

Matthew R. Freidel, Roger S. Armen

published 17 Feb 2021

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Gα_i1 inhibition mechanism of ATP-bound adenylyl cyclase type 5

Daniele Narzi, Siri C. van Keulen, Ursula Röthlisberger

published 25 Jan 2021

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Pyrimidone inhibitors targeting Chikungunya Virus nsP3 macrodomain by fragment-based drug design

Sixue Zhang, Atefeh Garzan, Nicole Haese, Robert Bostwick, Yohanka Martinez-Gzegozewska, Lynn Rasmussen, Daniel N. Streblow, Mark T. Haise, Ashish K. Pathak, Corinne E. Augelli-Szafran, Mousheng Wu

published 22 Jan 2021

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Structural analysis of rice Os4BGlu18 monolignol β-glucosidase

Supaporn Baiya, Salila Pengthaisong, Sunan Kitjaruwankul, James R. Ketudat Cairns

published 20 Jan 2021

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On topology and knotty entanglement in protein folding

Alexander Begun, Sergei Liubimov, Alexander Molochkov, Antti J. Niemi

published 13 Jan 2021

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