Dr. Charles Bock

TitleProfessor
InstitutionJefferson University - East Falls Campus
DepartmentMath
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. Rao NZ, Larkin JD, Bock CW. Monosubstituted Phenylboronic Acids, R-B(OH)2 (R = C6H5, C6H4CH3, C6H4NH2, C6H4OH, and C6H4F): A Computational Investigation. Struct Chem. 2017 Aug; 28(4):945-955. PMID: 29375238.
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    2. Rao NZ, Larkin JD, Bock CW. A Comparison of the Structure and Bonding in the Aliphatic Boronic R-B(OH)2 and Borinic R-BH(OH) acids (R=H; NH2, OH, and F): A Computational Investigation. Struct Chem. 2016 Aug; 27(4):1081-1091. PMID: 29805241.
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    3. Bock CW, Larkin JD. Heats of Formation for the Boronic Acids R-B(OH)2 and Boroxines R3B3O3 (R=H, Li, HBe, H2B, H3C, H2N, HO, F, and Cl) Calculated at the G2, G3, and G4 Levels of Theory. Comput Theor Chem. 2012 Apr 15; 986:35-42. PMID: 24653975.
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    4. Bhat KL, Markham GD, Larkin JD, Bock CW. Thermodynamics of boroxine formation from the aliphatic boronic acid monomers R-B(OH)2 (R = H, H3C, H2N, HO, and F): a computational investigation. J Phys Chem A. 2011 Jul 07; 115(26):7785-93. PMID: 21650154; PMCID: PMC3154741.
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    5. Larkin JD, Fossey JS, James TD, Brooks BR, Bock CW. A computational investigation of the nitrogen-boron interaction in o-(N,N-dialkylaminomethyl)arylboronate systems. J Phys Chem A. 2010 Dec 02; 114(47):12531-9. PMID: 21050022; PMCID: PMC4219545.
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    6. Larkin JD, Markham GD, Milkevitch M, Brooks BR, Bock CW. Computational investigation of the oxidative deboronation of boroglycine, H2N-CH2-B(OH)2, Using H2O and H2O2. J Phys Chem A. 2009 Oct 15; 113(41):11028-34. PMID: 19810757; PMCID: PMC4219543.
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    7. Taylor JC, Bock CW, Takusagawa F, Markham GD. Discovery of novel types of inhibitors of S-adenosylmethionine synthesis by virtual screening. J Med Chem. 2009 Oct 08; 52(19):5967-73. PMID: 19739644; PMCID: PMC2869451.
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    8. Markham GD, Takusagawa F, Dijulio AM, Bock CW. An investigation of the catalytic mechanism of S-adenosylmethionine synthetase by QM/MM calculations. Arch Biochem Biophys. 2009 Dec; 492(1-2):82-92. PMID: 19699176; PMCID: PMC2788016.
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    9. Larkin JD, Bhat KL, Markham GD, James TD, Brooks BR, Bock CW. A computational characterization of boron-oxygen multiple bonding in HN=CH-CH=CH-NH-BO. J Phys Chem A. 2008 Sep 11; 112(36):8446-54. PMID: 18707068; PMCID: PMC2559978.
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    10. Larkin JD, Milkevitch M, Bhat KL, Markham GD, Brooks BR, Bock CW. Dimers of boroglycine and methylamine boronic acid: a computational comparison of the relative importance of dative versus hydrogen bonding. J Phys Chem A. 2008 Jan 10; 112(1):125-33. PMID: 18072757.
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    11. Larkin JD, Bhat KL, Markham GD, Brooks BR, Lai JH, Bock CW. A computational investigation of the geometrical structure and protodeboronation of boroglycine, H2N-CH2-B(OH)2. J Phys Chem A. 2007 Jul 19; 111(28):6489-500. PMID: 17595064.
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    12. Larkin JD, Bhat KL, Markham GD, Brooks BR, Schaefer HF, Bock CW. Structure of the boronic acid dimer and the relative stabilities of its conformers. J Phys Chem A. 2006 Sep 14; 110(36):10633-42. PMID: 16956246.
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    13. Lai JH, Liu Y, Wu W, Zhou Y, Maw HH, Bachovchin WW, Bhat KL, Bock CW. Synthesis and structural investigation of internally coordinated alpha-amidoboronic acids. J Org Chem. 2006 Jan 20; 71(2):512-9. PMID: 16408958.
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    14. Larkin JD, Bock CW, Schaefer Iii HF. Assessing alkyl-, silyl-, and halo-substituent effects on the electron affinities of silyl radicals. J Phys Chem A. 2005 Nov 10; 109(44):10100-5. PMID: 16838930.
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    15. Bock CW, Markham GD, Katz AK, Glusker JP. The arrangement of first- and second-shell water molecules in trivalent aluminum complexes: results from density functional theory and structural crystallography. Inorg Chem. 2003 Mar 10; 42(5):1538-48. PMID: 12611521.
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    16. Sztandera L, Trachtman M, Bock C, Velga J, Garg A. Soft computing in the design of nontoxic chemicals. J Chem Inf Comput Sci. 2003 Jan-Feb; 43(1):189-98. PMID: 12546553.
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    17. Bock CW, Trachtman M. Binding of the two-valence-electron metal ions Sc(+), Ti(2+), and V(3+) to the second-row hydrides BeH(2), BH(3), NH(3), OH(2), and FH: a computational study. Inorg Chem. 2002 Sep 09; 41(18):4680-8. PMID: 12206691.
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    18. Markham GD, Norrby PO, Bock CW. S-adenosylmethionine conformations in solution and in protein complexes: conformational influences of the sulfonium group. Biochemistry. 2002 Jun 18; 41(24):7636-46. PMID: 12056895.
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    19. Trachtman M, Markham GD, Glusker JP, George P, Bock CW. Interactions of Metal Ions with Water: Ab Initio Molecular Orbital Studies of Structure, Bonding Enthalpies, Vibrational Frequencies and Charge Distributions. 1. Monohydrates. Inorg Chem. 1998 Aug 24; 37(17):4421-4431. PMID: 11670579.
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