Dr. David Rogers

TitleAssoc Prof CHP
InstitutionThomas Jefferson University
DepartmentNursing - Undergraduate
Address4201 Henry Ave
Philadelphia PA 19144
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Faculty can login to make corrections and additions.
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    PMC Citations indicate the number of times the publication was cited by articles in PubMed Central, and the Altmetric score represents citations in news articles and social media. (Note that publications are often cited in additional ways that are not shown here.) Fields are based on how the National Library of Medicine (NLM) classifies the publication's journal and might not represent the specific topic of the publication. Translation tags are based on the publication type and the MeSH terms NLM assigns to the publication. Some publications (especially newer ones and publications not in PubMed) might not yet be assigned Field or Translation tags.) Click a Field or Translation tag to filter the publications.
    1. Chaudhuri S, Rogers DM, Hayes CJ, Inzani K, Hirst JD. Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors. J Chem Inf Model. 2024 Oct 14; 64(19):7687-7697. PMID: 39265068.
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    2. Rogers DM, Do H, Hirst JD. An Improved Diabatization Scheme for Computing the Electronic Circular Dichroism of Proteins. J Phys Chem B. 2024 Aug 01; 128(30):7350-7361. PMID: 39034688.
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    3. David G, Wibowo-Teale AM, Rogers DM. Modeling interactions between rubidium atom and magnetometer cell wall molecules. J Chem Phys. 2024 Jul 07; 161(1). PMID: 38949279.
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    4. Krumins E, Crawford LA, Rogers DM, Machado F, Taresco V, East M, Irving SH, Fowler HR, Jiang L, Starr N, Parmenter CDJ, Kortsen K, Cuzzucoli Crucitti V, Avery SV, Tuck CJ, Howdle SM. A facile one step route that introduces functionality to polymer powders for laser sintering. Nat Commun. 2024 Apr 11; 15(1):3137. PMID: 38605004.
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    5. Douaki A, Stuber A, Hengsteler J, Momotenko D, Rogers DM, Rocchia W, Hirst JD, Nakatsuka N, Garoli D. Theoretical analysis of divalent cation effects on aptamer recognition of neurotransmitter targets. Chem Commun (Camb). 2023 Nov 24. PMID: 37997814.
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    6. Burns JW, Rogers DM. QuantumScents: Quantum-Mechanical Properties for 3.5k Olfactory Molecules. J Chem Inf Model. 2023 Nov 21. PMID: 37988325.
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    7. Rogers DM, Agarwal R, Vermaas JV, Smith MD, Rajeshwar RT, Cooper C, Sedova A, Boehm S, Baker M, Glaser J, Smith JC. SARS-CoV2 billion-compound docking. Sci Data. 2023 Mar 28; 10(1):173. PMID: 36977690.
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    8. Griffiths RC, Smith FR, Li D, Wyatt J, Rogers DM, Long JE, Cusin LML, Tighe PJ, Layfield R, Hirst JD, Muller MM, Mitchell N. Cysteine-Selective Modification of Peptides and Proteins via Desulfurative C-C Bond Formation. Chemistry. 2022 Dec 19. PMID: 36534955.
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    9. Gomez DT, Pratt LR, Rogers DM, Rempe SB. Free Energies of Hydrated Halide Anions: High Through-Put Computations on Clusters to Treat Rough Energy-Landscapes. Molecules. 2021 May 21; 26(11). PMID: 34064203.
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    10. Delgado JM, Duro N, Rogers DM, Tkatchenko A, Pandit SA, Varma S. Molecular basis for higher affinity of SARS-CoV-2 spike RBD for human ACE2 receptor. Proteins. 2021 Apr 17. PMID: 33864655.
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    11. Abrahamowicz AA, Chow EJ, Child DD, Dao A, Morrison ED, Gill SK, Rogers DM, Garvin K. Disseminated Histoplasmosis in a Patient With Multiple Sclerosis Treated With Fingolimod. Neurol Neuroimmunol Neuroinflamm. 2021 05; 8(3). PMID: 33602716.
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    12. Segatta F, Rogers DM, Dyer NT, Guest EE, Li Z, Do H, Nenov A, Garavelli M, Hirst JD. Near-Ultraviolet Circular Dichroism and Two-Dimensional Spectroscopy of Polypeptides. Molecules. 2021 Jan 13; 26(2). PMID: 33451152.
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    13. Vermaas JV, Sedova A, Baker MB, Boehm S, Rogers DM, Larkin J, Glaser J, Smith MD, Hernandez O, Smith JC. Supercomputing Pipelines Search for Therapeutics Against COVID-19. Comput Sci Eng. 2021 Jan; 23(1):7-16. PMID: 35939280.
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    14. Rogers DM. Protein Conformational States-A First Principles Bayesian Method. Entropy (Basel). 2020 Oct 31; 22(11). PMID: 33287010.
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    15. Jiang L, Rogers DM, Hirst JD, Do H. Force Fields for Macromolecular Assemblies Containing Diketopyrrolopyrrole and Thiophene. J Chem Theory Comput. 2020 Aug 11; 16(8):5150-5162. PMID: 32649197.
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    16. Hanson-Heine MWD, Rogers DM, Woodward S, Hirst JD. Dewar Benzenoids Discovered In Carbon Nanobelts. J Phys Chem Lett. 2020 Apr 30; 3769-3772. PMID: 32320248.
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    17. Dayhoff GW, Rogers DM. Hydration and Dispersion Forces in Hydroxypropylcellulose Phase Behavior. J Phys Chem B. 2019 Jun 13; 123(23):4976-4985. PMID: 31082228.
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    18. Hudson PS, Boresch S, Rogers DM, Woodcock HL. Accelerating QM/MM Free Energy Computations via Intramolecular Force Matching. J Chem Theory Comput. 2018 Oct 09. PMID: 30300543.
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    19. Stankus B, Zotev N, Rogers DM, Gao Y, Odate A, Kirrander A, Weber PM. Ultrafast photodissociation dynamics of 1,4-diiodobenzene. J Chem Phys. 2018 May 21; 148(19):194306. PMID: 30307219.
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    20. Vanegas JM, Heinrich F, Rogers DM, Carson BD, La Bauve S, Vernon BC, Akgun B, Satija S, Zheng A, Kielian M, Rempe SB, Kent MS. Insertion of Dengue E into lipid bilayers studied by neutron reflectivity and molecular dynamics simulations. Biochim Biophys Acta. 2018 Feb 13; 1860(5):1216-1230. PMID: 29447917.
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    21. Rogers DM. Extension of Kirkwood-Buff theory to the canonical ensemble. J Chem Phys. 2018 Feb 07; 148(5):054102. PMID: 29421896.
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    22. Xian R, Corthey G, Rogers DM, Morrison CA, Prokhorenko VI, Hayes SA, Miller RJD. Coherent ultrafast lattice-directed reaction dynamics of triiodide anion photodissociation. Nat Chem. 2017 Jun; 9(6):516-522. PMID: 28537597.
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    23. Rogers DM. Einstein-Podolsky-Rosen paradox implies a minimum achievable temperature. Phys Rev E. 2017 Jan; 95(1-1):012149. PMID: 28208419.
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    24. Urwin SJ, Rogers DM, Nichol GS, Cowley MJ. Ligand coordination modulates reductive elimination from aluminium(iii). Dalton Trans. 2016 Sep 21; 45(35):13695-9. PMID: 27530604.
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    25. Rogers DM. Overcoming the minimum image constraint using the closest point search. J Mol Graph Model. 2016 Jul; 68:197-205. PMID: 27472100.
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    26. Bauve E, Vernon BC, Ye D, Rogers DM, Siegrist CM, Carson BD, Rempe SB, Zheng A, Kielian M, Shreve AP, Kent MS. Method for measuring the unbinding energy of strongly-bound membrane-associated proteins. Biochim Biophys Acta. 2016 11; 1858(11):2753-2762. PMID: 27425029.
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    27. Roebuck JW, Turkington JR, Rogers DM, Bailey PJ, Griffin V, Fischmann AJ, Nichol GS, Pelser M, Parsons S, Tasker PA. Preorganized tridentate analogues of mixed hydroxyoxime/carboxylate nickel extractants. Dalton Trans. 2016 Mar 07; 45(9):3734-42. PMID: 26811997.
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    28. Yang L, Brazier JB, Hubbard TA, Rogers DM, Cockroft SL. Can Dispersion Forces Govern Aromatic Stacking in an Organic Solvent? Angew Chem Int Ed Engl. 2016 Jan 18; 55(3):912-6. PMID: 26632979.
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    29. Soniat M, Rogers DM, Rempe SB. Dispersion- and Exchange-Corrected Density Functional Theory for Sodium Ion Hydration. J Chem Theory Comput. 2015 Jul 14; 11(7):2958-67. PMID: 26575733.
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    30. Anishkin A, Vanegas JM, Rogers DM, Lorenzi PL, Chan WK, Purwaha P, Weinstein JN, Sukharev S, Rempe SB. Catalytic Role of the Substrate Defines Specificity of Therapeutic l-Asparaginase. J Mol Biol. 2015 Aug 28; 427(17):2867-85. PMID: 26142822.
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    31. Rogers DM. Real-space quadrature: a convenient, efficient representation for multipole expansions. J Chem Phys. 2015 Feb 21; 142(7):074101. PMID: 25701996.
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    32. Rogers DM, Kent MS, Rempe SB. Molecular basis of endosomal-membrane association for the dengue virus envelope protein. Biochim Biophys Acta. 2015 Apr; 1848(4):1041-52. PMID: 25559317.
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    33. Ridley T, Rogers DM, Lawley KP. A combined resonance enhanced multiphoton ionization and ab initio study of the first absorption band of 1,2,4,5-tetrafluorobenzene, pentafluorobenzene, and hexafluorobenzene. J Chem Phys. 2014 Oct 21; 141(15):154310. PMID: 25338899.
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    34. Andersen MB, Rogers DM, Mai J, Schudel B, Hatch AV, Rempe SB, Mani A. Spatiotemporal pH dynamics in concentration polarization near ion-selective membranes. Langmuir. 2014 Jul 08; 30(26):7902-12. PMID: 24892492.
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    35. Chan WK, Lorenzi PL, Anishkin A, Purwaha P, Rogers DM, Sukharev S, Rempe SB, Weinstein JN. The glutaminase activity of L-asparaginase is not required for anticancer activity against ASNS-negative cells. Blood. 2014 Jun 05; 123(23):3596-606. PMID: 24659632; PMCID: PMC4047499.
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    36. Rogers DM, Rempe SB. Reply to "comment on 'Probing the thermodynamics of competitive ion binding using minimum energy structures'". J Phys Chem B. 2012 Jul 12; 116(27):7994-5. PMID: 22571454.
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    37. Rogers DM, Beck TL, Rempe SB. An Information Theory Approach to Nonlinear, Nonequilibrium Thermodynamics. J Stat Phys. 2011 Oct; 145(2):385-409. PMID: 22966210.
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    38. Rogers DM, Rempe SB. Probing the thermodynamics of competitive ion binding using minimum energy structures. J Phys Chem B. 2011 Jul 28; 115(29):9116-29. PMID: 21721551; PMCID: PMC3443978.
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    39. Varma S, Rogers DM, Pratt LR, Rempe SB. Perspectives on: ion selectivity: design principles for K+ selectivity in membrane transport. J Gen Physiol. 2011 Jun; 137(6):479-88. PMID: 21624944; PMCID: PMC3105521.
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    40. De Vico L, Sørensen MH, Iversen L, Rogers DM, Sørensen BS, Brandbyge M, Nygård J, Martinez KL, Jensen JH. Quantifying signal changes in nano-wire based biosensors. Nanoscale. 2011 Feb; 3(2):706-17. PMID: 21173975.
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    41. Rogers DM, Beck TL. Quasichemical and structural analysis of polarizable anion hydration. J Chem Phys. 2010 Jan 07; 132(1):014505. PMID: 20078170.
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    42. Zhao Z, Rogers DM, Beck TL. Polarization and charge transfer in the hydration of chloride ions. J Chem Phys. 2010 Jan 07; 132(1):014502. PMID: 20078167.
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    43. Bas DC, Rogers DM, Jensen JH. Very fast prediction and rationalization of pKa values for protein-ligand complexes. Proteins. 2008 Nov 15; 73(3):765-83. PMID: 18498103.
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    44. Rogers DM, Beck TL. Modeling molecular and ionic absolute solvation free energies with quasichemical theory bounds. J Chem Phys. 2008 Oct 07; 129(13):134505. PMID: 19045103.
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    45. Rogers DM, Crookston KP. The approach to the patient who refuses blood transfusion. Transfusion. 2006 Sep; 46(9):1471-7. PMID: 16965571.
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    46. Rogers DM, Besley NA, O'Shea P, Hirst JD. Modeling the absorption spectrum of tryptophan in proteins. J Phys Chem B. 2005 Dec 08; 109(48):23061-9. PMID: 16854004.
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    47. Rogers DM, Hirst JD. First-principles calculations of protein circular dichroism in the near ultraviolet. Biochemistry. 2004 Aug 31; 43(34):11092-102. PMID: 15323568.
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    48. Rogers DM, Hirst JD. Calculations of protein circular dichroism from first principles. Chirality. 2004 May 05; 16(4):234-43. PMID: 15034906.
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    49. Fergus I, Bennett ES, Rogers DM, Siskind S, Messineo FC. Fluoroscopic balloon-guided transesophageal echocardiography in a patient with Zenker's diverticulum. J Am Soc Echocardiogr. 2004 May; 17(5):483-6. PMID: 15122194.
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