Calculating Partition Coefficients of Small Molecules in Octanol/Water and Cyclohexane/Water von Bannan, Caitlin C, Calabró, Gaetano, Kyu, Daisy Y, Mobley, David L

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Development and Benchmarking of Open Force Field v1.0.0the Parsley Small-Molecule Force Field von Qiu, Yudong, Smith, Daniel G. A, Boothroyd, Simon, Jang, Hyesu, Hahn, David F, Wagner, Jeffrey, Bannan, Caitlin C, Gokey, Trevor, Lim, Victoria T, Stern, Chaya D, Rizzi, Andrea, Tjanaka, Bryon, Tresadern, Gary, Lucas, Xavier, Shirts, Michael R, Gilson, Michael K, Chodera, John D, Bayly, Christopher I, Mobley, David L, Wang, Lee-Ping

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Escaping Atom Types in Force Fields Using Direct Chemical Perception von Mobley, David L, Bannan, Caitlin C, Rizzi, Andrea, Bayly, Christopher I, Chodera, John D, Lim, Victoria T, Lim, Nathan M, Beauchamp, Kyle A, Slochower, David R, Shirts, Michael R, Gilson, Michael K, Eastman, Peter K

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Blind prediction of cyclohexane–water distribution coefficients from the SAMPL5 challenge von Bannan, Caitlin C., Burley, Kalistyn H., Chiu, Michael, Shirts, Michael R., Gilson, Michael K., Mobley, David L.

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Toward Learned Chemical Perception of Force Field Typing Rules von Zanette, Camila, Bannan, Caitlin C, Bayly, Christopher I, Fass, Josh, Gilson, Michael K, Shirts, Michael R, Chodera, John D, Mobley, David L

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Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters von Ehrman, Jordan N., Lim, Victoria T., Bannan, Caitlin C., Thi, Nam, Kyu, Daisy Y., Mobley, David L.

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A Unique Case of Concurrent Long Bone Osteomyelitis and Empyema Caused by Fusobacterium nucleatum von Waqas, S, Bannan, C, Fe Talento, A, Byrne, D, O'Donnell, S, Clarke, S, Merry, C

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Investigating vibrational relaxation in cyanide-bridged transition metal mixed-valence complexes using two-dimensional infrared and infrared pump-probe spectroscopies von Slenkamp, Karla M., Lynch, Michael S., Brookes, Jennifer F., Bannan, Caitlin C., Daifuku, Stephanie L., Khalil, Munira

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Investigating vibrational anharmonic couplings in cyanide-bridged transition metal mixed valence complexes using two-dimensional infrared spectroscopy von Slenkamp, Karla M, Lynch, Michael S, Van Kuiken, Benjamin E, Brookes, Jennifer F, Bannan, Caitlin C, Daifuku, Stephanie L, Khalil, Munira

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Strategies to enhance Hepatitis B disease surveillance in Human Immunodeficiency Virus / Hepatitis B Virus co-infected patients von Bannan, C, Gallagher, D, Farrell, G, Akin, S, Bergin, C

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Tick-borne Encephalitis Identified in Ireland: Diagnosis and Outcome von Doyle, C, McGreal-Bellone, A, McDermott, R, Crowley, B, Merry, C, Bannan, C

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Multi-drug resistant Acinetobacter in evacuees from the 2006 East Timor conflict: a therapeutic and infection control challenge von Elston, J.W.T, Bannan, C, Chih, D, Bade, P, Boutlis, C.S

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SAMPL6 challenge results from pKa predictions based on a general Gaussian process model von Bannan, Caitlin C., Mobley, David L., Skillman, A. Geoffrey

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SAMPL6 challenge results from $$pK_a$$ predictions based on a general Gaussian process model von Bannan, Caitlin C., Mobley, David L., Skillman, A. Geoffrey

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Haemonchus contortus: sequence heterogeneity of internucleotide binding domains from P-Glycoproteins and an association with avermectin/milbemycin resistance von Sangster, N.C, Bannan, S.C, Weiss, A.S, Nulf, S.C, Klein, R.D, Geary, T.G

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SAMPL6 challenge results from [Formula: see text] predictions based on a general Gaussian process model von Bannan, Caitlin C, Mobley, David L, Skillman, A Geoffrey

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Tick-borne Encephalitis Identified in Ireland: Diagnosis and Outcome von Doyle, C, McGreal-Bellone, A, McDermott, R, Crowley, B, Merry, C, Bannan, C

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A Novel Vaccine Strategy Employing Serologically Different Chimpanzee Adenoviral Vectors for the Prevention of HIV-1 and HCV Coinfection von Hartnell, F, Brown, A, Capone, S, Kopycinski, J, Bliss, C, Makvandi-Nejad, S, Swadling, L, Ghaffari, E, Cicconi, P, Del Sorbo, M, Sbrocchi, R, Esposito, I, Vassilev, V, Marriott, P, Gardiner, CM, Bannan, C, Bergin, C, Hoffmann, M, Turner, B, Nicosia, A, Folgori, A, Hanke, T, Barnes, E, Dorrell, L

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A Unique Case of Concurrent Long Bone Osteomyelitis and Empyema Caused by Fusobacterium nucleatum von Waqas, S, Bannan, C, Fe Talento, A, Byrne, D, O'Donnell, S, Clarke, S, Merry, C

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Simulation input and out and data analysis for calculating partition coefficients of small molecules in octanol/water and cyclohexane/water von Bannan, Caitlin C, Calabró, Gaetano, Kyu, Daisy Y, Mobley, David L

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