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Jian Yin

TitlePostdoctoral Scholar
InstitutionUniversity of California San Diego
DepartmentSchool of Pharmacy and Pharmaceutical Science
Address9500 Gilman Drive #0332
La Jolla CA 92093
Phone858-822-7726
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    Publications listed below are automatically derived from MEDLINE/PubMed and other sources, which might result in incorrect or missing publications. Researchers can login to make corrections and additions, or contact us for help.
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    1. Yin J, Henriksen NM, Slochower DR, Shirts MR, Chiu MW, Mobley DL, Gilson MK. Overview of the SAMPL5 host-guest challenge: Are we doing better? J Comput Aided Mol Des. 2017 Jan; 31(1):1-19. PMID: 27658802.
      View in: PubMed
    2. Yin J, Henriksen NM, Slochower DR, Gilson MK. The SAMPL5 host-guest challenge: computing binding free energies andĀ enthalpies from explicit solvent simulations by the attach-pull-release (APR) method. J Comput Aided Mol Des. 2017 Jan; 31(1):133-145. PMID: 27638809.
      View in: PubMed
    3. Machan CW, Yin J, Chabolla SA, Gilson MK, Kubiak CP. Improving the Efficiency and Activity of Electrocatalysts for the Reduction of CO2 through Supramolecular Assembly with Amino Acid-Modified Ligands. J Am Chem Soc. 2016 07 06; 138(26):8184-93. PMID: 27258781.
      View in: PubMed
    4. Gao K, Yin J, Henriksen NM, Fenley AT, Gilson MK. Binding enthalpy calculations for a neutral host-guest pair yield widely divergent salt effects across water models. J Chem Theory Comput. 2015 Oct 13; 11(10):4555-64. PMID: 26574247; PMCID: PMC4668924 [Available on 10/13/16].
    5. Yin J, Fenley AT, Henriksen NM, Gilson MK. Toward Improved Force-Field Accuracy through Sensitivity Analysis of Host-Guest Binding Thermodynamics. J Phys Chem B. 2015 Aug 13; 119(32):10145-55. PMID: 26181208; PMCID: PMC4664157.
    6. Blum AP, Kammeyer JK, Yin J, Crystal DT, Rush AM, Gilson MK, Gianneschi NC. Peptides displayed as high density brush polymers resist proteolysis and retain bioactivity. J Am Chem Soc. 2014 Oct 29; 136(43):15422-37. PMID: 25314576; PMCID: PMC4227725.
    7. Machan CW, Chabolla SA, Yin J, Gilson MK, Tezcan FA, Kubiak CP. Supramolecular assembly promotes the electrocatalytic reduction of carbon dioxide by Re(I) bipyridine catalysts at a lower overpotential. J Am Chem Soc. 2014 Oct 15; 136(41):14598-607. PMID: 25226161.
      View in: PubMed
    8. Muddana HS, Yin J, Sapra NV, Fenley AT, Gilson MK. Blind prediction of SAMPL4 cucurbit[7]uril binding affinities with the mining minima method. J Comput Aided Mol Des. 2014 Apr; 28(4):463-74. PMID: 24510191; PMCID: PMC4053532.
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