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Carol A. Parish - Publications

Affiliations: 
Purdue University, West Lafayette, IN, United States 
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33/72 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2025 Pandian J, Vu K, Muya JT, Parker A, Ancajas CMF, Saldana-Greco D, Yewer T, Parish C. A Highly Correlated, Multireference Study of the Lowest Lying Singlet and Triplet States of the Four Thiophene Diradicals. Journal of Computational Chemistry. 46: e70044. PMID 39853579 DOI: 10.1002/jcc.70044  0.326
2024 Chen Z, Mendoza-Gomez S, Azar-Tanguay JE, Ancajas CMF, Sirianni DA, Parish CA. A spin-flip study of the diradical isomers of pyrrole, furan, and thiophene. The Journal of Chemical Physics. 161. PMID 39412053 DOI: 10.1063/5.0233736  0.686
2023 Sirianni DA, Song X, Wairegi S, Wang EB, Mendoza-Gomez SA, Luxon A, Zimmerley M, Nussdorf A, Filatov M, Hoffmann R, Parish CA. Variations on the Bergman Cyclization Theme: Electrocyclizations of Ionic Penta-, Hepta-, and Octadiynes. Journal of the American Chemical Society. 145: 21408-21418. PMID 37747784 DOI: 10.1021/jacs.3c06691  0.682
2020 Lischka H, Shepard R, Müller T, Szalay PG, Pitzer RM, Aquino AJA, Araújo do Nascimento MM, Barbatti M, Belcher LT, Blaudeau JP, Borges I, Brozell SR, Carter EA, Das A, Gidofalvi G, ... ... Parish CA, et al. The generality of the GUGA MRCI approach in COLUMBUS for treating complex quantum chemistry. The Journal of Chemical Physics. 152: 134110. PMID 32268762 DOI: 10.1063/1.5144267  0.429
2019 Scott T, Nieman R, Luxon A, Zhang B, Lischka H, Gagliardi L, Parish CA. A Multireference Ab Initio Study of the Diradical Isomers of Pyrazine. The Journal of Physical Chemistry. A. PMID 30779575 DOI: 10.1021/Acs.Jpca.8B12440  0.412
2019 Jaini A, Hughes L, Kitimet M, Ulep KJ, Leopold MC, Parish CA. Halogen Bonding Interactions for Aromatic and Non-Aromatic Explosive Detection. Acs Sensors. PMID 30672707 DOI: 10.1021/Acssensors.8B01246  0.36
2018 Hu H, Zhang B, Luxon A, Scott T, Wang B, Parish CA. An Extended Multireference Study of the Singlet and Triplet States of the 9,10-didehydroanthracene Diradical. The Journal of Physical Chemistry. A. PMID 29558134 DOI: 10.1021/Acs.Jpca.8B01233  0.336
2018 Esseffar M, Parish CA, Jalal R, Lamsabhi AM. 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. The Journal of Physical Chemistry. A. PMID 29485881 DOI: 10.1021/Acs.Jpca.8B00251  0.432
2017 Luxon AR, Orms N, Kanters RPF, Krylov AI, Parish CA. An Ab Initio Exploration of the Bergman Cyclization. The Journal of Physical Chemistry. A. PMID 29227675 DOI: 10.1021/Acs.Jpca.7B10576  0.424
2017 Beane A, Miller BR, Parish CA. Internal abstraction of dynemicin A: An MD approach. Journal of Molecular Graphics & Modelling. 74: 251-264. PMID 28458004 DOI: 10.1016/J.Jmgm.2017.03.012  0.33
2015 Tshishimbi Muya J, Ceulemans A, Gopakumar G, Parish CA. Jahn-Teller distortion in polyoligomeric silsesquioxane (POSS) cations. The Journal of Physical Chemistry. A. 119: 4237-43. PMID 25831095 DOI: 10.1021/Acs.Jpca.5B01787  0.321
2012 Song X, Fanelli MG, Cook JM, Bai F, Parish CA. Mechanisms for the reaction of thiophene and methylthiophene with singlet and triplet molecular oxygen. The Journal of Physical Chemistry. A. 116: 4934-46. PMID 22515263 DOI: 10.1021/Jp301919G  0.387
2012 Parker AJ, Stewart J, Donald KJ, Parish CA. Halogen bonding in DNA base pairs. Journal of the American Chemical Society. 134: 5165-72. PMID 22364257 DOI: 10.1021/Ja2105027  0.345
2011 Song X, Parish CA. A mechanistic study of the 2-thienylmethyl + HO2 radical recombination reaction. The Journal of Physical Chemistry. A. 115: 14546-57. PMID 22054057 DOI: 10.1021/Jp209656D  0.358
2011 Song X, Parish CA. Pyrolysis mechanisms of thiophene and methylthiophene in asphaltenes. The Journal of Physical Chemistry. A. 115: 2882-91. PMID 21410188 DOI: 10.1021/Jp1118458  0.312
2010 Wang EB, Parish CA. Conformational analysis of a model for the trans-fused FGH ether rings in brevetoxin A. The Journal of Organic Chemistry. 75: 1582-8. PMID 20136065 DOI: 10.1021/Jo902558H  0.349
2009 Remmert S, Hollis H, Parish CA. Conformational analysis of trimeric maleimide substituted 1,5,9-triazacyclododecane HIV fusion scaffolds Bioorganic and Medicinal Chemistry. 17: 1251-1258. PMID 19135378 DOI: 10.1016/J.Bmc.2008.12.027  0.375
2009 Remmert S, Parish C. Energetic analyses of chair and boat conformations of maleimide substituted cyclohexane derivatives. Journal of Computational Chemistry. 30: 992-998. PMID 18825691 DOI: 10.1002/Jcc.21125  0.367
2008 Wang EB, Parish CA, Lischka H. An extended multireference study of the electronic states of para-benzyne. The Journal of Chemical Physics. 129: 044306. PMID 18681645 DOI: 10.1063/1.2955744  0.34
2008 Lauer MG, Leslie JW, Mynar A, Stamper SA, Martinez AD, Bray AJ, Negassi S, McDonald K, Ferraris E, Muzny A, McAvoy S, Miller CP, Walters KA, Russell KC, Wang E, ... ... Parish C, et al. Synthesis, spectroscopy, and theoretical calculations for a series of push-pull [14]-pyridoannulenes. The Journal of Organic Chemistry. 73: 474-84. PMID 18085794 DOI: 10.1021/Jo7019724  0.331
2007 Szczepanska A, Espartero JL, Moreno-Vargas AJ, Carmona AT, Robina I, Remmert S, Parish C. Synthesis and conformational analysis of novel trimeric maleimide cross-linking reagents Journal of Organic Chemistry. 72: 6776-6785. PMID 17676908 DOI: 10.1021/Jo0709293  0.405
2007 Brzostowska EM, Hoffmann R, Parish CA. Tuning the Bergman cyclization by introduction of metal fragments at various positions of the enediyne. Metalla-Bergman cyclizations. Journal of the American Chemical Society. 129: 4401-9. PMID 17373798 DOI: 10.1021/Ja068884V  0.333
2005 Hillson SD, Smith E, Zeldin M, Parish CA. Cages, baskets, ladders, and tubes: conformational studies of polyhedral oligomeric silsesquioxanes. The Journal of Physical Chemistry. A. 109: 8371-8. PMID 16834229 DOI: 10.1021/Jp052949J  0.394
2004 Macaluso M, Parish CA, Hoffmann R, Scott LT. Dicyclobuta[de,ij]naphthalene and dicyclopenta[cd,gh]pentalene: a theoretical study. The Journal of Organic Chemistry. 69: 8093-100. PMID 15527295 DOI: 10.1021/Jo0486488  0.391
2004 Parish CA, Yarger M, Sinclair K, Dure M, Goldberg A. Comparing the conformational behavior of a series of diastereomeric cyclic urea HIV-1 inhibitors using the low mode:monte carlo conformational search method. Journal of Medicinal Chemistry. 47: 4838-50. PMID 15369387 DOI: 10.1021/Jm049716L  0.331
2004 Castillo H, Yarger M, Rappleye M, Parish C. A comparison of the AMBER*, OPLSAA and HF potential energy surfaces for a series of diastereomeric cyclic urea HIV-1 inhibitors Journal of Molecular Structure-Theochem. 710: 73-76. DOI: 10.1016/J.Theochem.2004.09.004  0.316
2003 Parish CA, Zeldin M, Hilson S, Pratt J. Conformational analysis of siloxane‐based enzyme‐mimic precursors[1] Macromolecular Symposia. 196: 327-336. DOI: 10.1002/Masy.200390171  0.364
2002 Parish CA, Zeldin M, Pratt J. Conformational Analysis and Modeling Studies of Synthetic 4-Dialkylaminopyridine-Siloxane Oligomers with Selective Esterase Activity Journal of Inorganic and Organometallic Polymers and Materials. 12: 31-47. DOI: 10.1023/A:1021298014393  0.374
1994 Parish CA, Dykstra CE. Three-body analytical potential for interacting helium atoms The Journal of Chemical Physics. 101: 7616-7624. DOI: 10.1063/1.468255  0.54
1993 Parish CA, Dykstra CE. Pairwise and many‐body contributions to interaction potentials in Hen clusters The Journal of Chemical Physics. 98: 437-443. DOI: 10.1063/1.464637  0.574
1993 Parish CA, Dykstra CE. Partially coupled electrical model of vibrational frequency shifts in weak atom-diatomic and diatomic-diatomic complexes Journal of Physical Chemistry. 97: 9374-9379. DOI: 10.1021/J100139A020  0.552
1992 Parish CA, Augspurger JD, Dykstra CE. Weakly bound complexes of carbon monoxide Journal of Physical Chemistry. 96: 2069-2079. DOI: 10.1021/J100184A011  0.567
1988 Lipkowitz KB, Demeter DA, Landwer JM, Parish CA, Darden T. Explorations on the multidimensional potential energy surface of a chiral stationary phase Journal of Computational Chemistry. 9: 63-66. DOI: 10.1002/Jcc.540090108  0.34
Low-probability matches (unlikely to be authored by this person)
2011 Ghosh K, Sen T, Patra A, Mancini JS, Cook JM, Parish CA. (rac)-1,1'-binaphthyl-based simple receptors designed for fluorometric discrimination of maleic and fumaric acids. The Journal of Physical Chemistry. B. 115: 8597-608. PMID 21661730 DOI: 10.1021/Jp202304K  0.297
2024 Vu K, Pandian J, Zhang B, Annas C, Parker AJ, Mancini JS, Wang EB, Saldana-Greco D, Nelson ES, Springsted G, Lischka H, Plasser F, Parish CA. Multireference Averaged Quadratic Coupled Cluster (MR-AQCC) Study of the Geometries and Energies for -, - and -Benzyne. The Journal of Physical Chemistry. A. PMID 39240216 DOI: 10.1021/acs.jpca.4c04099  0.297
2016 Taylor CA, Miller BR, Shah SS, Parish CA. A molecular dynamics study of the binary complexes of APP, JIP1, and the cargo binding domain of KLC. Proteins. PMID 27891669 DOI: 10.1002/Prot.25208  0.292
2010 Hamm ML, Parker AJ, Steele TWE, Carman JL, Parish CA. Oligonucleotide incorporation and base pair stability of 9-deaza-2′-deoxyguanosine, an analogue of 8-oxo-2′-deoxyguanosine Journal of Organic Chemistry. 75: 5661-5669. PMID 20669985 DOI: 10.1021/Jo1010763  0.291
2021 Muya JT, Donald KJ, Ceulemans A, Parish C. A comparison of the chemical bonding and reactivity of SiHO and GeHO: A theoretical study. The Journal of Chemical Physics. 154: 164305. PMID 33940821 DOI: 10.1063/5.0046059  0.287
2014 Miller BR, Parish CA, Wu EY. Molecular dynamics study of the opening mechanism for DNA polymerase I. Plos Computational Biology. 10: e1003961. PMID 25474643 DOI: 10.1371/Journal.Pcbi.1003961  0.285
2019 Oubella A, Itto MYA, Auhmani A, Riahi A, Robert A, Daran J, Morjani H, Parish CA, Esseffar M. Diastereoselective synthesis and cytotoxic evaluation of new isoxazoles and pyrazoles with monoterpenic skeleton Journal of Molecular Structure. 1198: 126924. DOI: 10.1016/J.Molstruc.2019.126924  0.285
2017 Taylor CA, Miller BR, Parish CA. Design and computational support for the binding stability of a new CCR5/CXCR4 dual tropic inhibitor: Computational design of a CCR5/CXCR4 drug. Journal of Molecular Graphics & Modelling. 75: 71-79. PMID 28575798 DOI: 10.1016/J.Jmgm.2017.02.012  0.283
2002 Parish CA, Lombardi R, Sinclair K, Smith E, Goldberg A, Rappleye M, Dure M. A comparison of the Low Mode and Monte Carlo conformational search methods Journal of Molecular Graphics & Modelling. 21: 129-150. PMID 12398344 DOI: 10.1016/S1093-3263(02)00144-4  0.278
2017 Vasiliou AK, Hu H, Cowell TW, Whitman JC, Porterfield J, Parish CA. Modeling Oil Shale Pyrolysis: High Temperature Unimolecular Decomposition Pathways for Thiophene. The Journal of Physical Chemistry. A. PMID 28910105 DOI: 10.1021/Acs.Jpca.7B07582  0.276
2015 Miller BR, Beese LS, Parish CA, Wu EY. The Closing Mechanism of DNA Polymerase I at Atomic Resolution. Structure (London, England : 1993). 23: 1609-20. PMID 26211612 DOI: 10.1016/J.Str.2015.06.016  0.275
2021 Dang QM, Simpson JH, Parish CA, Leopold MC. Evaluating Halogen-Bond Strength as a Function of Molecular Structure Using Nuclear Magnetic Resonance Spectroscopy and Computational Analysis. The Journal of Physical Chemistry. A. 125: 9377-9393. PMID 34661411 DOI: 10.1021/acs.jpca.1c07554  0.272
1987 Lipkowitz KB, Demeter DA, Parish CA, Landwer JM, Darden T. Column design. 3. Theoretical studies of a chiral stationary phase used in column chromatography Journal of Computational Chemistry. 8: 753-760. DOI: 10.1002/Jcc.540080602  0.265
2012 Fisher SQ, Weck M, Landers JE, Emrich J, Middleton SA, Cox J, Gentile L, Parish CA. Evidence that the kinesin light chain domain contains tetratricopeptide repeat units. Journal of Structural Biology. 177: 602-12. PMID 22330276 DOI: 10.1016/J.Jsb.2012.01.010  0.263
2010 Ghosh K, Saha I, Masanta G, Wang EB, Parish CA. Triphenylamine-based receptor for selective recognition of dicarboxylates Tetrahedron Letters. 51: 343-347. DOI: 10.1016/J.Tetlet.2009.11.021  0.263
2015 Wu EY, Walsh AR, Materne EC, Hiltner EP, Zielinski B, Miller BR, Mawby L, Modeste E, Parish CA, Barnes WM, Kermekchiev MB. A conservative isoleucine to leucine mutation causes major rearrangements and cold sensitivity in KlenTaq1 DNA polymerase. Biochemistry. 54: 881-9. PMID 25537790 DOI: 10.1021/Bi501198F  0.261
2018 Newkirk ML, Rubenstein KJ, Kim JY, Labrecque CL, Airas J, Taylor CA, Evans HD, McKoy Q, Parish CA, Pollock JA. Analysis of MEMO1 Binding Specificity for ErbB2 using Fluorescence Polarization and Molecular Dynamics Simulations. Biochemistry. PMID 30067338 DOI: 10.1021/Acs.Biochem.8B00582  0.258
2024 Bakry AA, Fanelli MG, Zeldin M, Donald KJ, Parish CA. Dative Bonding in Quasimetallatranes Containing Group 15 Donors (Y = N, P, and As) and Group 14 Acceptors (M = Si, Ge, Sn, and Pb). Inorganic Chemistry. PMID 39301982 DOI: 10.1021/acs.inorgchem.4c02532  0.256
2019 Modeste E, Mawby L, Miller BR, Wu EY, Parish CA. A molecular dynamics investigation of the thermostability of cold sensitive I707L KlenTaq1 DNA polymerase and its wild-type counterpart. Journal of Chemical Information and Modeling. PMID 30897332 DOI: 10.1021/Acs.Jcim.9B00022  0.241
2024 Narkin K, Legg HR, Brown GJ, El-Shazly K, Martin TD, Jarrell M, McCunn LR, Chen Z, Parish CA. Thermal Decomposition of 2-Cyclopentenone. The Journal of Physical Chemistry. A. PMID 39405375 DOI: 10.1021/acs.jpca.4c05532  0.232
1987 Lipkowitz KB, Demeter DA, Parish CA, Darden T. Enantioselective binding of 2,2,2-trifluoro-1-(9-anthryl)ethanol on a chiral stationary phase: a theoretical study Analytical Chemistry. 59: 1731-1733. DOI: 10.1021/Ac00140A031  0.22
2020 Rosen MR, Leuthaeuser JB, Parish CA, Fetrow JS. Isofunctional Clustering and Conformational Analysis of the Arsenate Reductase Superfamily Reveals Nine Distinct Clusters. Biochemistry. PMID 33135415 DOI: 10.1021/acs.biochem.0c00651  0.181
2020 Ojaghlou N, Airas J, McRae LM, Taylor CA, Miller BR, Parish CA. Understanding the Structure and Apo Dynamics of the Functionally Active JIP1 Fragment. Journal of Chemical Information and Modeling. PMID 33378183 DOI: 10.1021/acs.jcim.0c01008  0.181
2022 Oubella A, Bimoussa A, N'ait Oussidi A, Fawzi M, Auhmani A, Morjani H, Riahi A, Esseffar M, Parish C, Ait Itto MY. New 1,2,3-Triazoles from (R)-Carvone: Synthesis, DFT Mechanistic Study and In Vitro Cytotoxic Evaluation. Molecules (Basel, Switzerland). 27. PMID 35164037 DOI: 10.3390/molecules27030769  0.174
2022 Legg HN, Narkin KM, McCunn LR, Parish CA, Song X. Experimental and Theoretical Study of Oxolan-3-one Thermal Decomposition. The Journal of Physical Chemistry. A. PMID 36194512 DOI: 10.1021/acs.jpca.2c03254  0.147
2022 Carter C, Airas J, Parish CA. Atomistic insights into the binding of SARS-CoV-2 spike receptor binding domain with the human ACE2 receptor: The importance of residue 493. Journal of Molecular Graphics & Modelling. 118: 108360. PMID 36401897 DOI: 10.1016/j.jmgm.2022.108360  0.138
2023 Carter C, Airas J, Gladden H, Miller BR, Parish CA. Exploring the disruption of SARS-CoV-2 RBD binding to hACE2. Frontiers in Chemistry. 11: 1276760. PMID 37954960 DOI: 10.3389/fchem.2023.1276760  0.136
2022 Airas J, Bayas CA, N'Ait Ousidi A, Ait Itto MY, Auhmani A, Loubidi M, Esseffar M, Pollock JA, Parish CA. Investigating novel thiazolyl-indazole derivatives as scaffolds for SARS-CoV-2 M inhibitors. European Journal of Medicinal Chemistry Reports. 4: 100034. PMID 37519829 DOI: 10.1016/j.ejmcr.2022.100034  0.123
2020 Labrecque CL, Hilton CN, Airas J, Blake A, Rubenstein KJ, Parish CA, Pollock JA. Identification of Phenazine-based MEMO1 Small Molecule Inhibitors: Virtual Screening, Fluorescence Polarization Validation, and Inhibition of Breast Cancer Migration. Chemmedchem. PMID 33332774 DOI: 10.1002/cmdc.202000797  0.112
2021 Pollock JA, Labrecque CL, Hilton CN, Airas J, Blake A, Rubenstein KJ, Parish CA. Small Molecule Modulation of MEMO1 Protein-Protein Interactions Journal of the Endocrine Society. 5: A1031-A1031. DOI: 10.1210/jendso/bvab048.2110  0.108
2015 Miller BR, Beese LS, Parish CA, Wu EY. The Closing Mechanism of DNA Polymerase I at Atomic Resolution Structure. DOI: 10.1016/j.str.2015.06.016  0.102
2023 Caputa DA, Blankenship QP, Smith ZD, Huebner MM, Vetter ZA, Parks RW, Armendariz Lobera S, Leddin EM, Taylor CA, Parish CA, Miller BR. Computational drug discovery of an inhibitor of APOBEC3B as a treatment for epithelial cancers. Journal of Biomolecular Structure & Dynamics. 1-14. PMID 38109103 DOI: 10.1080/07391102.2023.2293269  0.102
2021 N’Ait Ousidi A, Itto MA, Auhmani A, Loubidi M, Riahi A, Daran J, Esseffar M, Parish CA. Diastereoselective synthesis of new Thiazolyl-Indazole derivatives from R-carvone: A combined experimental and theoretical study Tetrahedron. 78: 131830. DOI: 10.1016/j.tet.2020.131830  0.097
2015 Modeste E, Mawby L, Miller B, Wu E, Parish C. A Molecular Dynamics Investigation of the Thermostability of DNA Polymerase The Faseb Journal. 29. DOI: 10.1096/FASEBJ.29.1_SUPPLEMENT.561.7  0.075
2017 Saha I, Wang EB, Parish CA, Ghosh K. Triphenylamine-Based Open and Macrocyclic Receptors: A Study Towards Selectivite Recognition of Aliphatic Dicarboxylates Chemistryselect. 2: 4794-4799. DOI: 10.1002/slct.201700756  0.063
2022 Anderson K, Arradondo S, Ball KA, Bruce C, Gomez MA, He K, Hendrickson H, Madison L, McDonald AR, Nagan MC, Scott CE, Soto P, Tomlinson A, Varner M, Parish C. The Impacts of the Molecular Education and Research Consortium in Undergraduate Computational Chemistry on the Careers of Women in Computational Chemistry. Journal of Chemical Information and Modeling. PMID 35946899 DOI: 10.1021/acs.jcim.2c00566  0.047
2022 Herbert JM, Head-Gordon M, Hratchian HP, Head-Gordon T, Amaro RE, Aspuru-Guzik A, Hoffmann R, Parish CA, Payne CM, Van Voorhis T. Words Matter: On the Debate over Free Speech, Inclusivity, and Academic Excellence. The Journal of Physical Chemistry Letters. 13: 7100-7104. PMID 35924341 DOI: 10.1021/acs.jpclett.2c02242  0.03
2023 Scott T, Adderley D, Ali Y, Amanuel M, Blake A, Callender M, Carter C, Fokwa HD, Gooden RO, Granger A, Gunn K, Henderson A, Kitimet M, Modeste E, Stewart Z, ... ... Parish CA, et al. Voices of Black Talent in Chemistry: Retention Strategies and Personal Success Stories. Journal of the American Chemical Society. 145: 12426-12428. PMID 37312518 DOI: 10.1021/jacs.3c05185  0.028
1958 PARISH CA. Letters pro and con Ajn, American Journal of Nursing. 58: 472. DOI: 10.1097/00000446-195804000-00008  0.01
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