Search Results - "Dodda LS"

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  1. 1

    Knowledge and Structure-Based Drug Design of 15-PGDH Inhibitors.

    Authors: Dodda LS Campos S Ciccone D et al.

    Source: Journal of medicinal chemistry [J Med Chem] 2025 Sep 11; Vol. 68 (17), pp. 18436-18462. Date of Electronic Publication: 2025 Aug 27.

    Publication Type: Journal Article

    Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 9716531 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-4804 (Electronic) Linking ISSN: 00222623 NLM ISO Abbreviation: J Med Chem Subsets: MEDLINE

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  2. 2

    LigParGen web server: an automatic OPLS-AA parameter generator for organic ligands.

    Authors: Dodda LS Cabeza de Vaca I Tirado-Rives J et al.

    Source: Nucleic acids research [Nucleic Acids Res] 2017 Jul 03; Vol. 45 (W1), pp. W331-W336.

    Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't

    Journal Info: Publisher: Oxford University Press Country of Publication: England NLM ID: 0411011 Publication Model: Print Cited Medium: Internet ISSN: 1362-4962 (Electronic) Linking ISSN: 03051048 NLM ISO Abbreviation: Nucleic Acids Res Subsets: MEDLINE

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  3. 3

    QUBEKit: Automating the Derivation of Force Field Parameters from Quantum Mechanics.

    Authors: Horton JT Allen AEA Dodda LS et al.

    Source: Journal of chemical information and modeling [J Chem Inf Model] 2019 Apr 22; Vol. 59 (4), pp. 1366-1381. Date of Electronic Publication: 2019 Feb 22.

    Publication Type: Journal Article; Research Support, Non-U.S. Gov't

    Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101230060 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-960X (Electronic) Linking ISSN: 15499596 NLM ISO Abbreviation: J Chem Inf Model Subsets: MEDLINE

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  4. 4

    Unbinding Dynamics of Non-Nucleoside Inhibitors from HIV-1 Reverse Transcriptase.

    Authors: Dodda LS Tirado-Rives J Jorgensen WL

    Source: The journal of physical chemistry. B [J Phys Chem B] 2019 Feb 28; Vol. 123 (8), pp. 1741-1748. Date of Electronic Publication: 2019 Jan 03.

    Publication Type: Journal Article; Research Support, N.I.H., Extramural

    Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE

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  5. 5

    1.14*CM1A-LBCC: Localized Bond-Charge Corrected CM1A Charges for Condensed-Phase Simulations.

    Authors: Dodda LS Vilseck JZ Tirado-Rives J et al.

    Source: The journal of physical chemistry. B [J Phys Chem B] 2017 Apr 20; Vol. 121 (15), pp. 3864-3870. Date of Electronic Publication: 2017 Mar 02.

    Publication Type: Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't

    Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101157530 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1520-5207 (Electronic) Linking ISSN: 15205207 NLM ISO Abbreviation: J Phys Chem B Subsets: MEDLINE

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  6. 6

    Evaluation of CM5 Charges for Nonaqueous Condensed-Phase Modeling.

    Authors: Dodda LS Vilseck JZ Cutrona KJ et al.

    Source: Journal of chemical theory and computation [J Chem Theory Comput] 2015 Sep 08; Vol. 11 (9), pp. 4273-82. Date of Electronic Publication: 2015 Aug 27.

    Publication Type: Journal Article; Research Support, N.I.H., Extramural

    Journal Info: Publisher: American Chemical Society Country of Publication: United States NLM ID: 101232704 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1549-9626 (Electronic) Linking ISSN: 15499618 NLM ISO Abbreviation: J Chem Theory Comput Subsets: MEDLINE

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  7. 7

    Modeling the formaldehyde-graphene interaction using a formaldehyde-pyrene system.

    Authors: Dodda LS Lourderaj U

    Source: Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2013 Oct 28; Vol. 15 (40), pp. 17479-86.

    Publication Type: Journal Article

    Journal Info: Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Print Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: PubMed not MEDLINE

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