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Jeffrey D. Evanseck - Publications

Affiliations: 
1994-2000 University of Miami, Coral Gables, FL 
 2000- Duquesne University, Pittsburgh, PA, United States 
Area:
Physical Chemistry, Biochemistry
Website:
http://www.duq.edu/academics/faculty/jeff-evanseck
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51 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
2023 Makowski JA, Kensinger AH, Cunningham CL, Frye CJ, Shine M, Lackey PE, Mihailescu MR, Evanseck JD. Delta SARS-CoV-2 s2m Structure, Dynamics, and Entropy: Consequences of the G15U Mutation. Acs Physical Chemistry Au. 3: 434-443. PMID 37780540 DOI: 10.1021/acsphyschemau.3c00008  0.769
2023 Cunningham CL, Frye CJ, Makowski JA, Kensinger AH, Shine M, Milback EJ, Lackey PE, Evanseck JD, Mihailescu MR. Effect of the SARS-CoV-2 Delta-associated G15U mutation on the s2m element dimerization and its interactions with miR-1307-3p. Rna (New York, N.Y.). PMID 37604684 DOI: 10.1261/rna.079627.123  0.763
2023 Shine M, Harris SE, Pellegrene KA, Kensinger AH, Mihailescu MR, Evanseck JD, Lackey PE. Uridylation of the histone mRNA stem-loop weakens binding interactions with SLBP while maintaining interactions with 3'hExo. Rna Biology. 20: 469-481. PMID 37516934 DOI: 10.1080/15476286.2023.2171760  0.751
2023 Tamez A, Nilsson L, Mihailescu MR, Evanseck JD. Parameterization of the miniPEG-Modified γPNA Backbone: Toward Induced γPNA Duplex Dissociation. Journal of Chemical Theory and Computation. PMID 37195939 DOI: 10.1021/acs.jctc.2c01163  0.604
2023 Cunningham CL, Frye CJ, Makowski JA, Kensinger AH, Shine M, Milback EJ, Lackey PE, Evanseck JD, Mihailescu MR. Effect of the SARS-CoV-2 Delta-associated G15U mutation on the s2m element dimerization and its interactions with miR-1307-3p. Biorxiv : the Preprint Server For Biology. PMID 36798421 DOI: 10.1101/2023.02.10.528014  0.763
2022 Kensinger AH, Makowski JA, Pellegrene KA, Imperatore JA, Cunningham CL, Frye CJ, Lackey PE, Mihailescu MR, Evanseck JD. Structural, Dynamical, and Entropic Differences between SARS-CoV and SARS-CoV-2 s2m Elements Using Molecular Dynamics Simulations. Acs Physical Chemistry Au. 3: 30-43. PMID 36711027 DOI: 10.1021/acsphyschemau.2c00032  0.742
2022 Frye CJ, Shine M, Makowski JA, Kensinger AH, Cunningham CL, Milback EJ, Evanseck JD, Lackey PE, Mihailescu MR. Bioinformatics Analysis of the s2m Mutations within the SARS-CoV-2 Omicron Lineages. Journal of Medical Virology. PMID 36098272 DOI: 10.1002/jmv.28141  0.725
2021 Imperatore JA, Cunningham CL, Pellegrene KA, Brinson RG, Marino JP, Evanseck JD, Mihailescu MR. Highly conserved s2m element of SARS-CoV-2 dimerizes via a kissing complex and interacts with host miRNA-1307-3p. Nucleic Acids Research. PMID 34908151 DOI: 10.1093/nar/gkab1226  0.787
2020 Pellegrene KA, Mihailescu M, Evanseck JD. Energy Landscape of the Complex Between the RGG Box Domain of Fragile-X Mental Retardation Protein and an RNA G-quadruplex Biophysical Journal. 118: 224a-225a. DOI: 10.1016/J.Bpj.2019.11.1330  0.753
2019 Pellegrene KA, Rita Mihailescu M, Evanseck JD. Characterization of the Interactions of Fragile-X Mental Retardation Protein with C9orf72 Repeat Expanded RNA Biophysical Journal. 116: 505a. DOI: 10.1016/J.Bpj.2018.11.2724  0.756
2018 Pellegrene KA, Mihailescu M, Evanseck JD. G Quadruplex and Stem Interactions in RGG Box Domain Recognition Biophysical Journal. 114: 439a. DOI: 10.1016/J.Bpj.2017.11.2431  0.755
2018 Benner EM, Evanseck JD. Translocation of Potassium in Initiating Reset of Monoamine Transporter Proteins from Microsecond Molecular Dynamics Simulations Biophysical Journal. 114: 332a. DOI: 10.1016/J.Bpj.2017.11.1861  0.303
2015 Kochanek SE, Clymer TM, Pakkala VS, Hebert SP, Reeping K, Firestine SM, Evanseck JD. Intramolecular charge-assisted hydrogen bond strength in pseudochair carboxyphosphate. The Journal of Physical Chemistry. B. 119: 1184-91. PMID 25405523 DOI: 10.1021/Jp506796R  0.321
2014 Summerton JC, Martin GM, Evanseck JD, Chapman MS. Common hydrogen bond interactions in diverse phosphoryl transfer active sites. Plos One. 9: e108310. PMID 25238155 DOI: 10.1371/Journal.Pone.0108310  0.344
2010 HOUK KN, LI Y, EVANSECK JD. ChemInform Abstract: Transition Structures of Hydrocarbon Pericyclic Reactions Cheminform. 23: no-no. DOI: 10.1002/chin.199238322  0.305
2007 Acevedo O, Jorgensen WL, Evanseck JD. Elucidation of Rate Variations for a Diels-Alder Reaction in Ionic Liquids from QM/MM Simulations. Journal of Chemical Theory and Computation. 3: 132-8. PMID 26627159 DOI: 10.1021/Ct6002753  0.652
2007 Plumley JA, Evanseck JD. Covalent and ionic nature of the dative bond and account of accurate ammonia borane binding enthalpies. The Journal of Physical Chemistry. A. 111: 13472-83. PMID 18052261 DOI: 10.1021/Jp074937Z  0.312
2007 Acevedo O, Jorgensen WL, Evanseck JD. Elucidation of rate variations for a diels-alder reaction in ionic liquids from QM/MM simulations Journal of Chemical Theory and Computation. 3: 132-138. DOI: 10.1021/ct6002753  0.578
2006 Stein SAM, Loccisano AE, Firestine SM, Evanseck JD. Chapter 13 Principal Components Analysis: A Review of its Application on Molecular Dynamics Data Annual Reports in Computational Chemistry. 2: 233-261. DOI: 10.1016/S1574-1400(06)02013-5  0.35
2005 Zhou Z, Madrid M, Evanseck JD, Madura JD. Effect of a bound non-nucleoside RT inhibitor on the dynamics of wild-type and mutant HIV-1 reverse transcriptase. Journal of the American Chemical Society. 127: 17253-60. PMID 16332074 DOI: 10.1021/Ja053973D  0.607
2005 Henriksen BS, Zahn TJ, Evanseck JD, Firestine SM, Gibbs RA. Computational and conformational evaluation of FTase alternative substrates: insight into a novel enzyme binding pocket. Journal of Chemical Information and Modeling. 45: 1047-52. PMID 16045300 DOI: 10.1021/Ci0496550  0.337
2004 DeChancie J, Acevedo O, Evanseck JD. Density functional theory determination of an axial gateway to explain the rate and endo selectivity enhancement of Diels-Alder reactions by bis(oxazoline)-Cu(II). Journal of the American Chemical Society. 126: 6043-7. PMID 15137769 DOI: 10.1021/Ja037702J  0.544
2004 Loccisano AE, Acevedo O, DeChancie J, Schulze BG, Evanseck JD. Enhanced sampling by multiple molecular dynamics trajectories: carbonmonoxy myoglobin 10 micros A0-->A(1-3) transition from ten 400 picosecond simulations. Journal of Molecular Graphics & Modelling. 22: 369-76. PMID 15099833 DOI: 10.1016/J.Jmgm.2003.12.004  0.589
2004 Acevedo O, Evanseck JD. Transition States and Transition Structures Cheminform. 35. DOI: 10.1002/chin.200427286  0.484
2003 Acevedo O, Evanseck JD. The effect of solvent on a Lewis acid catalyzed Diels-Alder reaction, using computed and experimental kinetic isotope effects. Organic Letters. 5: 649-52. PMID 12605481 DOI: 10.1021/Ol027408G  0.577
2003 Macias AT, Norton JE, Evanseck JD. Impact of multiple cation-pi interactions upon calix[4]arene substrate binding and specificity. Journal of the American Chemical Society. 125: 2351-60. PMID 12590565 DOI: 10.1021/Ja0285971  0.757
2003 Acevedo O, Evanseck JD. Transition structure models of organic reactions in chloroaluminate ionic liquids cyclopentadiene and methyl acrylate diels-alder reaction in acidic and basic melts of 1-ethyl-3-methylimidazolium chloride with aluminum(III) chloride Acs Symposium Series. 856: 174-190.  0.542
2002 Dick TJ, Acevedo O, Dalal P, Madura JD, Evanseck JD, Mathews JP. Molecular Basis for Carbon Dioxide Sequestration in Coal Acs Division of Fuel Chemistry, Preprints. 47: 14-16.  0.645
2001 Rovira C, Schulze B, Eichinger M, Evanseck JD, Parrinello M. Influence of the heme pocket conformation on the structure and vibrations of the Fe-CO bond in myoglobin: A QM/MM density functional study Biophysical Journal. 81: 435-445. PMID 11423426 DOI: 10.1016/S0006-3495(01)75711-6  0.347
2000 Macias AT, Kumar KA, Marchand AP, Evanseck JD. Computational studies of inclusion phenomena and synthesis of a novel and selective molecular receptor for 1,4-disubstituted benzenes and 4,4'-disubstituted biphenyls The Journal of Organic Chemistry. 65: 2083-9. PMID 10774029 DOI: 10.1021/Jo991669V  0.753
2000 Macias AT, Kumar KA, Marchand AP, Evanseck JD. Computational studies of inclusion phenomena and synthesis of a novel and selective molecular receptor for 1,4-disubstituted benzenes and 4,4'- disubstituted biphenyls Journal of Organic Chemistry. 65: 2083-2089. DOI: 10.1021/jo991669v  0.74
2000 Schulze BG, Grubmuller H, Evanseck JD. Functional significance of hierarchical tiers in carbonmonoxy myoglobin: Conformational substates and transitions studied by conformational flooding simulations Journal of the American Chemical Society. 122: 8700-8711. DOI: 10.1021/Ja993788Y  0.358
2000 Kong S, Evanseck JD. Density functional theory study of aqueous-phase rate acceleration and endo/exo selectivity of the butadiene and acrolein Diels-Alder reaction Journal of the American Chemical Society. 122: 10418-10427. DOI: 10.1021/Ja0010249  0.605
1999 Schulze BG, Evanseck JD. Cooperative role of Arg45 and His64 in the spectroscopic A3 state of carbonmonoxy myoglobin: Molecular dynamics simulations, multivariate analysis, and quantum mechanical computations Journal of the American Chemical Society. 121: 6444-6454. DOI: 10.1021/Ja982115X  0.366
1998 MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FT, Mattos C, et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. The Journal of Physical Chemistry. B. 102: 3586-616. PMID 24889800 DOI: 10.1021/Jp973084F  0.721
1998 Caves LSD, Evanseck JD, Karplus M. Locally accessible conformations of proteins: Multiple molecular dynamics simulations of crambin Protein Science. 7: 649-666. PMID 9541397 DOI: 10.1002/Pro.5560070314  0.515
1997 Castro R, Davidov PD, Kumar KA, Marchand AP, Evanseck JD, Kaifer AE. INCLUSION COMPLEXATION OF CYCLOBIS(PARAQUAT-p-PHENYLENE) AND RELATED CYCLOPHANE DERIVATIVES WITH SUBSTITUTED AROMATICS: COOPERATIVE NON-COVALENT CAVITY AND EXTERNAL INTERACTIONS Journal of Physical Organic Chemistry. 10: 369-382. DOI: 10.1002/(Sici)1099-1395(199705)10:5<369::Aid-Poc917>3.0.Co;2-I  0.402
1996 Castro R, Nixon KR, Evanseck JD, Kaifer AE. Effects of Side Arm Length and Structure of Para-Substituted Phenyl Derivatives on Their Binding to the Host Cyclobis(paraquat-p-phenylene). The Journal of Organic Chemistry. 61: 7298-7303. PMID 11667653 DOI: 10.1021/Jo9610321  0.352
1996 Castro R, Berardi MJ, Córdova E, Ochoa De Olza M, Kaifer AE, Evanseck JD. Unexpected roles of guest polarizability and maximum hardness, and of host solvation in supramolecular inclusion complexes: A dual theoretical and experimental study Journal of the American Chemical Society. 118: 10257-10268. DOI: 10.1021/Ja960700X  0.395
1995 Evanseck JD, Thomas IV BE, Spellmeyer DC, Houk KN. Transition structures of thermally allowed disrotatory electrocyclizations. the prediction of stereoselective substituent effects in six-electron pericyclic reactions The Journal of Organic Chemistry. 60: 7134-7141. DOI: 10.1021/Jo00127A016  0.307
1994 Evanseck JD, Houk KN, Briggs JM, Jorgensen WL. Quantification of Solvent Effects on the Acidities of Z and E Esters from Fluid Simulations Journal of the American Chemical Society. 116: 10630-10638. DOI: 10.1021/Ja00102A032  0.495
1993 Nahm K, Li Y, Evanseck JD, Houk KN, Foote CS. Structures and energies of intermediates in the reactions of singlet oxygen with organic phosphines and sulfides Journal of the American Chemical Society. 115: 4879-4884. DOI: 10.1021/Ja00064A057  0.434
1993 Thomas BE, Evanseck JD, Houk KN. Electrocyclic reactions of 1-substituted 1,3,5,7-octatetraenes. An ab initio molecular orbital study of torquoselectivity in eight-electron electrocyclizations Journal of the American Chemical Society. 115: 4165-4169. DOI: 10.1021/Ja00063A039  0.438
1993 Thomas BE, Evanseck JD, Houk KN. Transition Structures of the Electrocyclic Reactions ofcis,cis,cis-1,3,5-Cyclooctatriene Israel Journal of Chemistry. 33: 287-293. DOI: 10.1002/Ijch.199300035  0.401
1992 Karplus M, Evanseck JD, Joseph D, Bash PA, Field MJ. Simulation analysis of triose phosphate isomerase: Conformational transition and catalysis Faraday Discussions. 93: 239-248. PMID 1290934 DOI: 10.1039/Fd9929300239  0.656
1992 Houk KN, Li Y, Evanseck JD. Transition Structures of Hydrocarbon Pericyclic Reactions Angewandte Chemie International Edition in English. 31: 682-708. DOI: 10.1002/Anie.199206821  0.449
1992 Houk KN, Li Y, Evanseck JD. Übergangsstrukturen in pericyclischen Reaktionen von Kohlenwasserstoffen Angewandte Chemie. 104: 711-739. DOI: 10.1002/Ange.19921040606  0.351
1990 Evanseck JD, Mareda J, Houk KN. Theoretical investigation of intramolecular singlet carbene 1,4- and 1,2-cycloadditions Journal of the American Chemical Society. 112: 73-80. DOI: 10.1021/Ja00157A012  0.418
1990 Evanseck JD, Houk KN. Theoretical predictions of activation energies for 1,2-hydrogen shifts in singlet carbenes The Journal of Physical Chemistry. 94: 5518-5523. DOI: 10.1021/J100377A020  0.406
1987 Evanseck JD, Blake JF, Jorgensen WL. Ab initio study of the SN2 reactions of hydroxide and hydroperoxide with chloromethane Journal of the American Chemical Society. 109: 2349-2353. DOI: 10.1021/Ja00242A018  0.462
1987 EVANSECK JD, BLAKE JF, JORGENSEN WL. ChemInform Abstract: Ab initio Study of the SN2 Reactions of OH- and OOH- with CH3Cl Cheminform. 18. DOI: 10.1002/chin.198734106  0.341
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