Dr. Carol Parish
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Profile
Research in the Parish group focuses on understanding the dynamical behavior of interesting molecular systems. The tools of quantum mechanics, conformational searching and free energy simulation are used to answer questions about the structure, energy and dynamics of molecules important to biology and chemistry such as understanding the reactivity of di- and poly-radicals that form the basis of anti-cancer warhead drugs, exploring how the SARS-CoV-2 Spike protein binds to human cells and designing drugs to bind to the MEMO signaling protein. The physical nature of our work is diverse; however, the unifying theme is our methodological, physical-chemistry based approach. Parish has mentored more than 100 undergraduate students, authored 58 research publications and raised over $4 million to support her research group from NSF, DOE, ACS-PRF and the Dreyfus Foundation.
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Grants and Fellowships
2022. National Institutes of Health, Basic Instrumentation Grant (BIG) Program “High Performance Computer for Biomedical Research,” 6/1/2022-7/31/2025.
2020. National Science Foundation, Major Research Instrumentation Program, "Expansion of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY) via Addition of High Performance Computers." (Donald, Parish)
Jeffress Memorial Trust Awards Program in Interdisciplinary Research, "Understanding the reduction of CO2 to methanol catalyzed by simple amines with a combined computational and experimental approach." (Norris, Parish)
National Science Foundation, Research at Undergraduate Institutions Program, "RUI: Characterizing Pyrolysis and Combustion Pathways for Asphaltene Model Compounds." (Parish)
National Science Foundation, Convergence Accelerator Pilot "RAISE:C-Accel Pilot - Track A1 (Open Knowledge Network): MPrint-OKN," PI Tyler McQuade, co-PIs: Carol Parish, Adrian Roitberg and James Ferri, 9/1/2019-5/31/2020, $994,433 ($188,000 to UR).
American Chemical Society Petroleum Research Fund Type UR Program, 9/1/17-8/31/20, "A Molecular Dynamics Atomistic Inquiry into the Driving Forces for Nano-Aggregation in Asphaltenes," $70,000.
National Science Foundation, Major Research Instrumentation Program, "Addition of High Performance Computers for the Molecular Education and Research Consortium in Undergraduate Computational ChemistRY (MERCURY)," 2016-2019, $225,000 (jointly with faculty in the MERCURY consortium; George Shields, PI)
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Presentations
Undergraduate coauthors in bold
A Highly Correlated, Multireference Study of Aromatic Tetraradicals. 262nd National Meeting of the American Chemical Society, Dominic A. Sirianni and Carol A. Parish, Atlanta, GA, August 2021 (Oral)
Investigating Novel Thiazolyl-Indazole Derivatives as Scaffolds for SARS-CoV-2 MPro Inhibitors, 2021 Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY), Justin Airas, Catherine A. Bayas, Abellah N'Ait Ousidi, My Youssef Ait Itto, Aziz Auhmani, Mohamed Loubidi, M'hamed Esseffar, Julie A. Pollock, and Carol A. Parish, Virtual, July 2021 (Poster)
A Comparison of the Bergman Cyclization of 6-, 10-, 14- , and 18-membered Enediynes, 2021 Molecular Education and Research Consortium in Undergraduate Computational Chemistry (MERCURY), Christine Ancajas and Carol Parish, Virtual Conference, July 2021 (Poster).
Investigating the Binding Affinity of Novel Thiazolyl-Indazoles to SARS-CoV-2 MPro, Theoretical Physical Organic Chemistry (TPOC) Meeting, Justin Airas and Carol A. Parish, Virtual, April 2021 (Talk)
Computational Prediction of Lipophilicity: Quantum Chemistry and Machine Learning Approach, Neda Ojaghlou and Carol A. Parish, 2021 spring national American Chemical Society meeting, virtual (talk).
Variations on the Bergman Cyclization Theme: Electrocyclizations of Penta-, Hepta-, and Octadiynes, Dominic Sirianni and Carol A. Parish, 261st National Meeting of the American Chemical Society, Dominic A. Sirianni and Carol A. Parish, March 2021 (Oral)
"Molecular Studies of Halogen Bonding, Protein Dynamics and Combustion" Carol Parish, Southeastern Regional Meeting of the American Chemical Society (SERMACS), Savannah, GA, October 2019 (invited talk)
"HIV Flap Dynamics" Carol Parish, Department of Chemistry, Indiana University-Purdue University @Indianapolis, Indianapolis, IN, September 2019 (invited talk)
"Multiconfigurational Tetraradicals" Carol Parish, Department of Chemistry, Chemical Theory Center, University of Minnesota, Minneapolis, MN, September 2019 (invited talk)
"Minding the Gap: Quantum Studies of Aromatic Diradicals," Carol Parish, Symposium in Honor of Fritz Schaefer, American Chemical Society National Meeting, San Diego, CA August 2019 (contributed talk)
"Building a Career as a Teacher-Scholar at a Predominately Undergraduate Institution (PUI)," Carol Parish, Mentor Talk, Women Make Comp Special Symposium, American Chemical Society National Meeting, San Diego, CA August 2019 (invited talk)
"It's the Right Chemistry! Research with Undergraduates in the Parish Laboratory" Carol Parish, Award Address, Symposium in Honor of Research with Undergraduates, American Chemical Society National Meeting, Orlando, FL, March 2019 (invited talk)
Functionally Relevant Clustering of the Arsenate Reductase (ArsC) Superfamily, 2019 Protein Society meeting, Mikaela R. Rosen, Janelle B. Leuthaeuser, Carol A. Parish, Jacquelyn S. Fetrow, Seattle, WA, June 2019 (poster)
Computational Investigation of Myosin 19 Structure-Function, 2019 National American Chemical Society meeting, Justin Airas, Erica Modeste, Yasmin Ali, Omar Quintero and Carol Parish, Orlando, Fl, March 2019 (Poster)
The Binding Interactions Between Human Pepsin and RT Inhibitors: A MD Approach, 2019 National American Chemical Society meeting, Alexis Blake and Carol Parish, Orlando, Fl, March 2019 (Poster)
Highly Correlated Multireference Study of the Tetralin Diradical, 2019 National American Chemical Society meeting, Christine Ancajas and Carol Parish, Orlando, Fl, March 2019 (Poster)
Molecular Dynamics of MEMO1: Apo Dynamics, Peptide Complex Dynamics and Small Ligand Binding Analysis, 2019 National American Chemical Society meeting, Hunter Evans, Justin Airas, Quincy McCoy, Cooper A. Taylor, Kristen J. Rubenstein, Julie Pollock and Carol Parish, Orlando, Fl, March 2019 (Poster)
A Study of the Binding Interactions Between Human Pepsin and HIV-1 Protease Inhibitor, 2019 National American Chemical Society meeting, Afryea Henderson and Carol Parish, Orlando, Fl, March 2019 (Poster)
Halogen Bonding as a Mechanism for Aromatic and Non-Aromatic Explosive Detection, 2019 National American Chemical Society meeting, Michael Kitimet, Arjun Jaini, Kevin John Ulep, Lillian Hughes, Michael Leopold and Carol Parish, Orlando, Fl, March 2019 (Poster)
Functionally Relevant Clustering of Arsenate Reductase (ArsC) Superfamily, 2019 National American Chemical Society meeting, Mikaela Rosen, Janelle B. Leuthheuser, Cooper A. Taylor, Jacquelyn Fetrow and Carol Parish, Orlando, Fl, March 2019 (Poster)
Evaluating the Binding of a Novel POSS-Based HIV Protease Inhibitor Drug, 2019 National American Chemical Society meeting, Yesireth Solis, Justin Airas and Carol Parish, Orlando, Fl, March 2019 (Poster)
Characterizing the Folding of the Amyloid Precursor Protein-C42, 2019 National American Chemical Society meeting, Elise Tate, Soleil Shah, Cooper A. Taylor and Carol Parish, Orlando, Fl, March 2019 (Poster)
Quantum Mechanics Study of Polyaromatic Diradical Formation through Domino Cyclization, 2019 National American Chemical Society meeting, Kevin John Ulep and Carol Parish, Orlando, Fl, March 2019 (Poster)
Spin Flip Characterization of the Bergman Cyclization of the Hepta-1,6-Diyne System, 2019 National American Chemical Society meeting, Salmika G. Wairegi, Adam Luxon and Carol Parish, Orlando, Fl, March 2019 (Poster)
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Grants and Fellowships
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Publications
Books
Physical Chemistry Research at Undergraduate Institutions Volume II, Todd Hopkins and Carol Parish, Editors, American Chemical Society Books in partnership with Oxford University Press, 2023. https://pubs.acs.org/doi/book/10.1021/bk-2022-1429
Physical Chemistry Research at Undergraduate Institutions Volume I, Carol Parish and Todd Hopkins, Editors, American Chemical Society Books in partnership with Oxford University Press, 2022. https://pubs.acs.org/isbn/9780841297432
Journal Articles(Undergraduate authors are underlined)
“Conformational Analysis of Oligomeric Models of Siloxane, Silazane and Siloxazane Ladder Polymers,” Aamy Bakry, Joshua Pandian, Khanh Vu, Idil Cazimoglu, John Mancini, Carol A. Parish, and Marty Zeldin. Journal of Inorganic and Organometallic Polymers and Materials, 2024, https://link.springer.com/article/10.1007/s10904-024-03181-6
“Dative Bonding in Quasimetallatranes Containing Group 15 Donors (Y = N, P, and As) and Group 14 Acceptors (M = Si, Ge, Sn, and Pb),” Aamy A. Bakry, Matthew G. Fanelli, Carol A. Parish, Kelling Donald and Marty Zeldin, Inorganic Chemistry, 2024, https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c02532
“Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for ortho-, meta- and para-Benzyne,” Khanh Vu, Josh Pandian, Boyi Zhang, Christina Annas, Anna J. Parker, John S. Mancini, Evan B. Wang, Diomedes Saldana-Greco, Emily S. Nelson, Greg Springsted, and Carol A. Parish,The Journal of Physical Chemistry A, 2024, https://pubs.acs.org/doi/full/10.1021/acs.jpca.4c04099
“Computational Drug Discovery of an Inhibitor of APOBEC3B as a Treatment for Epithelial Cancers”, Dominic A. Caputa, Quin P. Blankenship, Zachary D. Smith, Molly M. Huebner, Zoe A. Vetter, Richard W. Parks, Saul Armendariz Lobera, Emmett M. Leddin, Cooper A. Taylor, Carol A. Parish and Bill R. Miller III*, Journal of Biomolecular Structure and Function, 2023, in press https://doi.org/1080/07391102.2023.2293269
“Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta- and Octa-diynes”. Dominic A. Sirianni, Xinli Song, Salmika Wairegi, Evan B. Wang, Sebastian A. Mendoza-Gomez, Adam Luxon, Maxwell Zimmerley, Ariana Nussdorf, Michael Filatov-Gulak, Roald Hoffmann and Carol A. Parish*, Journal of the American Chemical Society, 2023, 145, 21408-21418, https://doi.org/10.1021/jacs.3c06691
“Exploring the Disruption of SARS-CoV-2 RBD Binding to hACE2”, Camryn Carter, Justin Airas, Haley Gladden, Bill R. Miller III and Carol A. Parish*, submitted to Frontiers in Chemistry, Computational and Theoretical Chemistry, 2023, 11:1276760, https://doi.org/10.3389/fchem.2023.1276760
“A SMART Decade: Outcomes of an Integrated, Inclusive, First-Year College-Level STEM Curricular Innovation”, Shannon Jones, Alexis Blake, Lesly Corado-Santiago, Jasmine Crenshaw, Emma Goldman, Fernando Gomez, Chelsea Hall, Harry Hoke, Stephen Holmes, Benjamin Kornegay, Priscilla Kwarteng, Barry Lawson, Meghan Leber, Georges Leconte, Erica Modeste, Kristine Nolin, Michael Norris, Jose Santinni Roma, Addison Swackhammer, Marcella Torres, Joanna Wares, Dominique Williams, April Hill*, Kathy Hoke*, Carol Parish*, B. Daniel Pierce*, Frontiers in Education, Special Issue on Centering Humanism in STEM Education, 2023, 8, 1-10, https://doi.org/10.3389/feduc.2023.1152339
“Diversifying the Workforce for Data-Related Jobs Starts with Inclusivity in Research”, Carol A. Parish, Diverse Issues in Higher Education, 2023. https://www.diverseeducation.com/opinion/article/15546698/diversifying-the-workforce-for-datarelated-jobs-starts-with-inclusivity-in-research
“Voices of Black Talent in Chemistry: Retention Strategies and Personal Success Stories”, Thais Scott, Davina Adderley, Yasmin Ali, Michael Amanuel, Alexis Blake, Makayla Callender, Camryn Carter, Hilary Djomnang Fokwa, Reginald O. Gooden, Abra Granger, Kianna Gunn, Afryea Henderson, Michael Kitimet, Erica Modeste, Daniel Stewart, Joel Teah, Salmika Wairegi, Lyniesha Wright and Carol A. Parish, Journal of the American Chemical Society, 2023, 145, 12426-12428 (editorial) https://doi.org/10.1021/jacs.3c05185
“Conducting research at primarily undergraduate institutions”, Nicholas D. Ball, Maria A. Gomez, Brian P. Rempel, Elaine R. Farkas, Tori E. Makal, George C. Shields, Carol A. Parish, Blakely W. Tresca, Elizabeth G. McGinitie, Cell Reports Physical Science, 2023, 4, 101255. https://doi.org/10.1016/j.xcrp.2023.101255
“Atomistic Insights into the binding of SARS-CoV-2 Spike Receptor Binding Domain with the Human ACE2 receptor: The Importance of Residue 493”, Camryn Carter, Justin Airas and Carol A. Parish*, Journal of Molecular Graphics and Modeling, 2023, in press https://doi.org/10.1016/j.jmgm.2022.108360
“Experimental and Theoretical Study of Oxolan-3-one Thermal Decomposition”, Heather Legg, Kathryn Narkin, Laura McCunn,* Carol Parish and Xinli Song,* Journal of Physical Chemistry A, 2022, in press. https://doi.org/10.1021/acs.jpca.2c03254
“The signature C=C=O stretch of propenylketenes and ketene clusters”, Khaled El-Shazly, Elizabeth Sparks, Kathryn Narkin, Heather Legg, Julia Cardot, Matthew Hostetler, Laura McCunn,* Carol Parish, Physical Chemistry Research at Undergraduate Institutions: Innovative and Impactful Approaches, Volume 1, ACS Symposium Series, American Chemical Society, Washington D.C. 2022 Chapter 4, 53-67, https://pubs.acs.org/doi/full/10.1021/bk-2022-1428.ch004
“Bergman Cyclization of Maleimide-Based Enediynes”, Abra Granger, Travis Greene and Carol A. Parish*, Physical Chemistry Research at Undergraduate Institutions: Innovative and Impactful Approaches, Volume 1, ACS Symposium Series, American Chemical Society, Washington D.C. 2022, Chapter 10, 157-175, https://pubs.acs.org/doi/abs/10.1021/bk-2022-1428.ch010
“Investigating Novel Thiazolyl-Indazole Derivatives as Scaffolds for SARS-CoV-2 Mpro Inhibitors”, Justin Airas, Catherine A. Bayas, A. N’Ait Ousidi, M.Y. Ait Itto, A. Auhmani, M. Loubidi, M’hamed Esseffar, Julie A. Pollock, and Carol A. Parish*, European Journal of Medicinal Chemistry Reports, 2022, 4, 100034 https://doi.org/10.1016/j.ejmcr.2022.100034
“Building a Successful Computational Chemistry Research Laboratory,” Jeff Schriber, Dominic Sirianni, George Flanagin, Carol A. Parish and Bill M. Miller III*, Physical Chemistry Research at Undergraduate Institutions: Innovative and Impactful Approaches, Volume 1, ACS Symposium Series, American Chemical Society, Washington D.C. 2022, Chapter 5, 69-83, https://pubs.acs.org/doi/full/10.1021/bk-2022-1428.ch005
“The Impacts of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry on the Careers of Women in Computational Chemistry” Kelly Anderson, Sarah Arradondo, Aurelia Ball, Chrystal Bruce, Maria A. Gomez, Kedan He, Heidi Hendrickson, Lindsey Madison, Ashley Ringer McDonald, Maria C. Nagan, Caitlin Scott, Patricia Soto, Aime’e Tomlinson, Mychel Varner and Carol A. Parish*, Journal of Chemical Information and Modeling, Special Issue on Advancing Women in Chemistry, in press, 2022 https://doi.org/10.1021/acs.jcim.2c00566
“New 1,2,3-triazoles from (R)-carvone: Synthesis, DFT mechanistic study and in vitro cytotoxic evaluation,” Ali Oubella, Abdoullah Bimoussa, Abdellah N’ait oussidi, Mourad Fawzi, Aziz Auhmani, Hamid Morjani, Abdelkhalek Riahi, M'hamed Esseffar*, Carol A. Parish*, My Youssef Ait Itto*, Molecules, 2022, 27, 769.
“Evaluating Halogen-Bond Strength as a Function of Molecular Structure using Nuclear Magnetic Resonance Spectroscopy and Computational Analysis,” Quang Minh Dang, Jeffrey H. Simpson, Carol A. Parish, and Michael C. Leopold*, Journal of Physical Chemistry A, 2021, 125, 9377-9393.
Jules Tshishimbi Muya, Kelling J. Donald, Arnout Ceulemans and Carol Parish, "A Comparison of the Chemical Bonding and Reactivity of Si8H8O12 and Ge8H8O12: A Theoretical Study," Journal of Chemical Physics, 2021, 154, 164305. Article featured in JCP Special Collection in Honor of Women in Chemical Physics and Physical Chemistry
Courtney L. Labrecque, Cassidy N. Hilton, Justin Airas, Alexis Blake, Kristen J. Rubenstein, Carol A. Parish* and Julie A. Pollock*, “Identification of Phenazine-Based MEMO1 Small-Molecule Inhibitors: Virtual Screening, Fluorescence Polarization Validation, and Inhibition of Breast Cancer Migration,” ChemMedChem, 2021, 16 1-10.
Neda Ojaghlou, Justin Airas, Lauren M. McRae, Cooper A. Taylor, Bill R Miller III and Carol A. Parish*, “Understanding the Structure and Apo Dynamics of the Functionally Active JIP1 Fragment,” Journal of Chemical Information and Modeling, 2021, 61, 324-334.
A. N’aitOusidi, M.Y. Ait Itto, A. Auhmani, M. Loubidi, A. Riahi, J.-C. Daran, M. Esseffar and Carol A. Parish*, “Diastereoselective Synthesis of New Thiazolyl-Indazole Derivatives from R-Carvone: A Combined Experimental and Theoretical Study,” Tetrahedron, 2021, 78 131830 (1-7).
Mikaela Rosen, Janelle Leuthaeuser, Carol A. Parish* and Jacquelyn S. Fetrow,* “Isofunctional Clustering and Conformational Analysis of the Arsenate Reductase Superfamily Reveals Nine Distinct Clusters,” Biochemistry, 2020, 59, 4262-4284.
"The Generality of the GUGA MRCI Approach in COLUMBUS for Treating Complex Quantum Chemistry,” Hans Lischka,* Ron Shepard, Thomas Müller, Péter G. Szalay, Russel M. Pitzer, Adelia J. A. Aquino, Mayzza M. Araújo do Nascimento, Mario Barbatti, Lachlan T. Belcher, Jean-Philippe Blaudeau, Itamar Borges Jr., Scott R. Brozell, Emily A. Carter, Anita Das, Gergely Gidofalvi, Leticia Gonzalez, William L. Hase, Gary Kedziora, Miklos Kertesz, Fabris Kossoski, Francisco B. C. Machado, Spiridoula Matsika, Silmar A. do Monte, Dana Nachtigallova, Reed Nieman, Markus Oppel, Carol A. Parish, Felix Plasser, Rene F. K. Spada, Eric A. Stahlberg, Elizete Ventura, David R. Yarkony, Zhiyong Zhang, Journal of Chemical Physics, 2020, 152, 134110.
“Diastereoselective Synthesis and Cytotoxic Evaluation of New Isoxazoles and Pyrazoles with Monoterpenic Skeleton”, Ali Oubella, My Youssef AitItto, Aziz Auhmani, Abdelkhalek Riahi, Anthony Robert, Jean-Claude Daran, Hamid Morjani, M’hamed Esseffar* and Carol A. Parish, Journal of Molecular Structure, 2019 1198, 126924.
“A Molecular Dynamics investigation of the Thermostability of Cold Sensitive I707L KlenTaq1 DNA Polymerase and its Wild-Type Counterpart,” Erica Modeste, Lily Mawby, Bill Miller III, Eugene Wu and Carol A. Parish,* Journal of Chemical Information and Modeling, 2019, doi: 10.1021/acs.jcim.9b00022.
Article featured in the Journal of Chemical Information and Modeling, Women in Computational Chemistry, Special Issue, 2019
“Diradical Isomers of Pyrazine,” Thais Scott, Reed Nieman, Adam Luxon, Boyi Zhang, Hans Lischka, Laura Gagliardi and Carol A. Parish,* Journal of Physical Chemistry A, 2019, in press.
“Halogen Bonding Interactions for Aromatic and Non-Aromatic Explosives Detection,” Arjun K.A. Jaini, Lillian Hughes, Michael K. Kitimet, Kevin John Ulep, Michael Leopold* and Carol A. Parish,* ACS Sensors, 2019, 4, 389-397.
“Analysis of MEMO1 Binding Specificity for ErbB2 using Fluorescence Polarization and Molecular Dynamics Simulations,” Madeline L. Newkirk, Kristen J. Rubenstein, Jessica Y. Kim, Courtney L. Labrecque, Justin Airas, Cooper A. Taylor, Hunter D. Evans, Carol A. Parish, and Julie A. Pollock*, Biochemistry, 2018, 57, 5169-5181.
“An Extended Multireference Study of the Singlet and Triplet States of 9,10-didehydroanthracene Diradical,” Hui Hu, Boyi Zhang, Adam Luxon, Thais Scott, Baoshan Wang and Carol A. Parish,* Journal of Physical Chemistry A, 2018, 122, 3688-3696.
“A Computational Study of the Reactivity of 3,5-(oxo/thioxo) derivatives of 2,7-dimethyl-1,2,4-triazepines. Keto-enol tautomerization and potential for hydrogen storage,” M’hamed Esseffar,* Carol A. Parish, R. Jalal and Al Mokhtar Iamsabhi, Journal of Physical Chemistry A, 2018, 122, 3076-3086.
Article featured in Virtual Issue that highlights research performed at Primarily Undergraduate Institutions, published in the Journal of Physical Chemistry A/B/C/Letters, 2019, https://pubs.acs.org/ page/jpchax/vi/jpc-pui
“An ab Initio Exploration of the Bergman Cyclization,” Adam R. Luxon, Natalie Orms, René Kanters, Anna Krylov and Carol A. Parish,* Journal of Physical Chemistry A, 2018, 122, 420-430.
"Modeling Oil Shale Pyrolysis: High Temperature Unimolecular Decomposition Pathways for Thiophene," AnGayle K. Vasiliou, Hui Hu, Thomas W. Cowell, Jared Whitman, Jessica Porterfield, and Carol A. Parish, Journal of Physical Chemistry A, 2017, 121, 7655-7666.
"Nanoaggregates of Diverse Asphaltenes by Mass Spectrometry and Molecular Dynamics," Weiguo Wang, Cooper Taylor, Hui Hu, Kathryn L. Humphries, Arjun Jaini, Michael Kitimet, Thais Scott, Zach Stewart, Kevin John Ulep, Shannon Houck, Adam Luxon, Boyi Zhang, Bill Miller, Carol Parish, Andrew E. Pomerantz, Oliver C. Mullins, Richard N. Zare, Energy & Fuels, 2017, 31, 9140-9151.
"Triphenylamine-Based Open and Macrocyclic Receptors: A Study Towards Selective Recognition of Aliphatic Dicarboxylates," Indrajit Saha, Evan B. Wang, Carol A. Parish, and Kumaresh Ghosh*, ChemistrySelect, 2017, 21, 4794-4799.
"Internal Abstraction of Dynemicin A: An MD Approach," Angus Beane, Bill R. Miller III and Carol A. Parish, Journal of Molecular Graphics and Modeling, 2017, 74, 251-264,
"Design and Computational Verification of a CCR5/CXCR4 Dual Tropic Inhibitor," Cooper A. Taylor, Bill R. Miller III and Carol A. Parish, Journal of Molecular Graphics and Modeling, 2017, 75, 71-79.
"A Molecular Dynamics Characterization of the Binary Complex of Amyloid Precursor Protein and the Cargo Binding Domain of Human Kinesin Light Chain," Cooper A. Taylor, Bill R. Miller III, Soleil Shah and Carol A. Parish*, Proteins: Structure, Function and Bioinformatics, 2017, 85, 221-234.
"The Closing Mechanism of DNA Polymerase I at Atomic Resolution," Bill R. Miller III, Lorena S. Beese, Carol A. Parish* and Eugene Wu*, Structure, 2015, 23, 1609-1620.
"Jahn-Teller Stabilization in POSS Cations," Jules Tshishimbi Muya, Arnout Ceulemans, Gopinadhanpillai Gopakumar and Carol A. Parish*, Journal of Physical Chemistry A, 2015, 119, 4237-4243.
"A Conservative Isoleucine to Leucine Mutation Causes Major Rearrangements and Cold-Sensitivity in KlenTaq1 DNA Polymerase," Eugene Y. Wu*, Amanda R. Walsh, Emma C. Materne, Emily P. Kornberg, Bryan Zielinski, Bill Miller III, Lily Mawby, Erica Modeste, Carol Parish, Wayne M. Barnes and Milko B. Kermekchiev, Biochemistry, 2014, 54, 881-889.
"Molecular Dynamics Study of the Opening Mechanism for DNA Polymerase I," Bill Miller III, Carol A. Parish* and Eugene Wu*, PLOS Computational Biology, 2014, 10, e1003961.
"Mechanisms for the reaction of thiophene and methylthiophene with singlet and triplet molecular oxygen," Xinli Song, Matthew G. Fanelli, Justin M. Cook, Furong Bai and Carol A. Parish*, Journal of Physical Chemistry A, 2012 116, 4934-4946.
"Halogen bonding in DNA base pairs," Anna J. Parker, John Stewart, Kelling Donald* and Carol Parish,* Journal of the American Chemical Society, 2012 134, 5165-5172.
"Evidence that the kinesin light chain contains tetratricopeptide repeat units." Sally Q. Fisher, Meredith Weck, Jenna E. Landers, Jeffrey Emrich, Shana A. Middleton, Jordan Cox, Lisa N. Gentile and Carol A. Parish,* Journal of Structural Biology, 2012, 177, 602-612.
"Challenging Disciplinary Boundaries in the First-Year: A New Introductory Integrated Science Course for STEM Majors," Gentile, L.*; Caudhill, L.; Fetea, M.; Hill, A.; Hoke, K.; Lawson, B.; Lipan, O.; Kerckhove, M.; Parish, C.; Stenger, K.; Szajda, D., Journal of College Science Teaching, 2012, 41(5), 24-30.
"A Mechanistic Study of the 2-Thienylmethyl + HO2 Radical Recombination Reaction," Xinli Song and Carol Parish,* Journal of Physical Chemistry A, 2011, 115, 14546-14557
"(rac)- 1,1'-Binaphthyl-based simple receptors designed for fluorometric discrimination of maleic and fumaric acids," Kumaresh Ghosh,* Tanushree Sen, Amarnedra Patra, John S. Mancini, Justin M. Cook and Carol A. Parish,* Journal of Physical Chemistry B, 2011, 115, 8597-8608.
"Pyrolysis Mechanisms of Thiophene and Methylthiophene in Asphaltenes," Xinli Song and Carol Parish,* Journal of Physical Chemistry A, 2011, 115, 2882-2891.
"Oligonucleotide Incorporation and Base Pair Stability of 9-deaza-2'-deoxyguanosine," Michelle L. Hamm*, Anna J. Parker, Jennifer L. Carman, Tyler W. E. Steele, and Carol A. Parish,* Journal of Organic Chemistry 2010, 75, 5661-5669.
"Triphenylamine-Based Receptors for Selective Recognition of Dicarboxylates," Kumaresh Ghosh*, Indrajit Saha, Goutam Masanta, Evan B. Wang, and Carol A. Parish,* Tetrahedron Letters, 2010 51, 343-347.
"Conformational Analysis of a Model for the trans-fused FGH Ether Rings in Brevetoxin A," Evan B. Wang and Carol A. Parish*, Journal of Organic Chemistry, 2010 75, 1582-1588.
"Conformational Analysis of Trimeric Maleimide Substituted 1,5,9-triazacyclododecane HIV Fusion Scaffolds," Sarah Remmert, Heather Hollis, and Carol Parish,* Bioorganic and Medicinal Chemistry, 2009 17, 1251-1258.
"Energetic Analysis of Chair and Boat Conformations of Maleimide Substituted Cyclohexane Derivatives," Sarah Remmert and Carol Parish,* Journal of Computational Chemistry, 2009 30, 992-998.
"An Extended Multireference Study of the Electronic States of para-benzyne," Evan Wang, Carol Parish and Hans Lischka, Journal of Chemical Physics, 2008 129, 44306:1-44306-8.
"Synthesis, Spectroscopy and Theoretical Calculations for a Series of Push-Pull [14]-pyridoannulenes," Matthew M. Lauer, James W. Leslie, Ashley Mynar, Shelly A. Stamper, Anthony D. Martinez, Adrian J. Bray, Senai Negassi, Kevin McDonald, Eric Ferraris, Aaron Muzny, Shawn McAvoy, Keith Walters, Keith C. Russell, Evan Wang, Betsy Nuez, and Carol Parish, Journal of Organic Chemistry, 2008, 73, 474-484.
"Synthesis and Conformational Analysis of Novel Trimeric Maleimide Cross-Linking Reagents," A. Szczepanska, J. L. Espartero, A. J. Moreno-Vargas, A. T. Carmona, I. Robina, Sarah Remmert and Carol Parish, Journal of Organic Chemistry, 2007 72, 6776-6785.
"Tuning the Bergman Cyclization by Introduction of Metal Fragments at Various Positions of the Enediyne. MetallaBergman Cyclizations," Edyta M. Brzostowska, Roald Hoffmann and Carol Parish, Journal of the American Chemical Society, 2007 129, 4401-4409.
Cages, Baskets, Ladders and Tubes; Conformational Studies of Polyoligomeric Silsesquioxanes", Sean Hillson, Emelyn Smith, Martel Zeldin and Carol Parish, Journal of Physical Chemistry A, 2005, 109, 8371-8378.
A Comparison of the AMBER*, OPLSAA and HF Potential Energy Surfaces for a Series of Diastereomeric Cyclic Urea HIV-1 Inhibitors, Hilda Castillo, Matthew Yarger, Melissa Rappleye, and Carol Parish. Journal of Molecular Structure (THEOCHEM), 2004 710, 73-76.
A Theoretical Study of Dicyclobuta[de,ij]naphthalene and Dicyclopenta[cd,gh]pentalene, Maximilian Macaluso, Carol Parish, Roald Hoffman and Larry Scott, Journal of Organic Chemistry, 2004 69, 8093-8100.
Molecular Modeling Studies of Cylic Urea HIV-1 Protease Inhibitors, Carol Parish, Matthew Yarger, Kent Sinclair, Alla Goldberg, and Myrianne Dure, Journal of Medicinal Chemistry 2004 47, 4838-4850.
Conformational Analysis of Siloxane-Based Enzyme-Mimic Precursors, Carol Parish, Martel Zeldin, Jennifer Pratt, and Sean Hilson, Macromolecular Symposia, Wiley and Sons, 2003 196, 327-336.
Conformational Analysis and Modeling Studies of Synthetic 4-Dialkylaminopyridine-Siloxane Oligomers with Selective Esterase Activity, Carol Parish, Martel Zeldin and Jennifer Pratt, Journal of Inorganic and Organometallic Polymers 2002 12(1-2), 31-47.
A Comparison of the Low Mode and Monte Carlo Conformational Search Methods, Carol Parish, Rosina Lombardi, Kent Sinclair, Emelyn Smith, Alla Goldberg, Melissa Rappleye, and Myrianne Dure, Journal of Molecular Graphics and Modeling 2002, 21(2) 129-150.
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In the News
University of Richmond Chemistry Professor Carol Parish Will Co-Lead $300K NSF Grant-Funded Project to Support Young Chemists
Wed., Oct. 4, 2023University of Richmond Senior Receives Competitive Rising Black Scientist Award for Academic Talent, Commitment to Research
Thu., Feb. 16, 2023UR Awarded Nearly $250K NIH Grant For Biomedical Research; Funding Will Support 11 Faculty and 70+ Research Students
Thu., Jul. 7, 2022University of Richmond Students Awarded Prestigious Beckman Scholarships to Further Undergraduate Research in the Sciences
Wed., Mar. 2, 2022Mapping omicron: Students worked feverishly to publish breakthrough research
Mon., Feb. 14, 2022UR Chemistry Professor and Associate Provost Carol Parish Named to International Advisory Board for Science Journal
Tue., Sep. 22, 2020Richmond school expand mentorship program; VCU, UR researchers try to create the "Alexa of chemistry"
Sun., Sep. 15, 2019Researchers from UR, Virginia Commonwealth University, and University of Florida Will Work Together on the Nearly $1 Million Project to Create "The Alexa of Chemistry"
Thu., Sep. 12, 2019University of Richmond Chemistry Professor Carol Parish Receives Research Award from American Chemical Society
Wed., Sep. 26, 2018University of Richmond Chemistry Professor Carol Parish Awarded $310,000 NSF Grant for Research on Alternative Energy Sources
Wed., Aug. 8, 2018University of Richmond Chemistry Professor Carol Parish receives State Council of Higher Education Outstanding Faculty Award
Fri., Jan. 26, 2018 - Links