Exploring the disruption of SARS-CoV-2 RBD binding to hACE2 von Carter, Camryn, Airas, Justin, Gladden, Haley, Miller, Bill R., Parish, Carol A.

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Molecular dynamics study of the opening mechanism for DNA polymerase I von Miller, 3rd, Bill R, Parish, Carol A, Wu, Eugene Y

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Atomistic insights into the binding of SARS-CoV-2 spike receptor binding domain with the human ACE2 receptor: The importance of residue 493 von Carter, Camryn, Airas, Justin, Parish, Carol A.

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Halogen Bonding in DNA Base Pairs von Parker, Anna J, Stewart, John, Donald, Kelling J, Parish, Carol A

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A spin–flip study of the diradical isomers of pyrrole, furan, and thiophene von Chen, Zhijian, Mendoza-Gomez, Sebastian, Azar-Tanguay, Jean E., Ancajas, Christine M. F., Sirianni, Dominic A., Parish, Carol A.

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Thermal Decomposition of 2‑Cyclopentenone von Narkin, Kathryn, Legg, Heather R., Brown, Glenna J., El-Shazly, Khaled, Martin, Thaddeus D., Jarrell, Mia, McCunn, Laura R., Chen, Zhijian, Parish, Carol A.

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A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine von Scott, Thais, Nieman, Reed, Luxon, Adam, Zhang, Boyi, Lischka, Hans, Gagliardi, Laura, Parish, Carol A

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Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics von Wang, Weiguo, Taylor, Cooper, Hu, Hui, Humphries, Kathryn L, Jaini, Arjun, Kitimet, Michael, Scott, Thais, Stewart, Zach, Ulep, Kevin John, Houck, Shannon, Luxon, Adam, Zhang, Boyi, Miller, Bill, Parish, Carol A, Pomerantz, Andrew E, Mullins, Oliver C, Zare, Richard N

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Modeling Oil Shale Pyrolysis: High-Temperature Unimolecular Decomposition Pathways for Thiophene von Vasiliou, AnGayle K, Hu, Hui, Cowell, Thomas W, Whitman, Jared C, Porterfield, Jessica, Parish, Carol A

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Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for ortho-, meta- and para-Benzyne von Vu, Khanh, Pandian, Joshua, Zhang, Boyi, Annas, Christina, Parker, Anna J., Mancini, John S., Wang, Evan B., Saldana-Greco, Diomedes, Nelson, Emily S., Springsted, Greg, Lischka, Hans, Plasser, Felix, Parish, Carol A.

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Conformational Analysis of Oligomeric Models of Siloxane, Silazane and Siloxazane Ladder Polymers von Bakry, Aamy, Pandian, Joshua, Vu, Khanh, Cazimoglu, Idil, Mancini, John, Zeldin, Martel, Parish, Carol A.

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Voices of Black Talent in Chemistry: Retention Strategies and Personal Success Stories von Scott, Thais, Adderley, Davina, Ali, Yasmin, Amanuel, Michael, Blake, Alexis, Callender, Makalya, Carter, Camryn, Fokwa, Hilary Djomnang, Gooden, Reginald O, Granger, Abra, Gunn, Kiana, Henderson, Afryea, Kitimet, Michael, Modeste, Erica, Stewart, Zachary, Teah, Joel, Wairegi, Salmika, Ward, Lyneisha Wright, Parish, Carol A

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An ab Initio Exploration of the Bergman Cyclization von Luxon, Adam R, Orms, Natalie, Kanters, René, Krylov, Anna I, Parish, Carol A

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Understanding the Structure and Apo Dynamics of the Functionally Active JIP1 Fragment von Ojaghlou, Neda, Airas, Justin, McRae, Lauren M, Taylor, Cooper A, Miller, Bill R, Parish, Carol A

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Jahn–Teller Distortion in Polyoligomeric Silsesquioxane (POSS) Cations von Tshishimbi Muya, Jules, Ceulemans, Arnout, Gopakumar, Gopinadhanpillai, Parish, Carol A

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Identification of Phenazine‐Based MEMO1 Small‐Molecule Inhibitors: Virtual Screening, Fluorescence Polarization Validation, and Inhibition of Breast Cancer Migration von Labrecque, Courtney L., Hilton, Cassidy N., Airas, Justin, Blake, Alexis, Rubenstein, Kristen J., Parish, Carol A., Pollock, Julie A.

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Mechanisms for the Reaction of Thiophene and Methylthiophene with Singlet and Triplet Molecular Oxygen von Song, Xinli, Fanelli, Matthew G, Cook, Justin M, Bai, Furong, Parish, Carol A

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A molecular dynamics study of the binary complexes of APP, JIP1, and the cargo binding domain of KLC von Taylor, Cooper A., Miller, Bill R., Shah, Soleil S., Parish, Carol A.

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A Mechanistic Study of the 2-Thienylmethyl + HO2 Radical Recombination Reaction von Song, Xinli, Parish, Carol A

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Internal abstraction of dynemicin A: An MD approach von Beane, Angus, Miller, Bill R., Parish, Carol A.

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