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Page 1
Kinetic Modeling of API Oxidation: (2) Imipramine Stress Testing.
Wu H, Grinberg Dana A, Ranasinghe DS, Pickard FC 4th, Wood GPF, Zelesky T, Sluggett GW, Mustakis J, Green WH. Wu H, et al. Among authors: pickard fc 4th. Mol Pharm. 2022 May 2;19(5):1526-1539. doi: 10.1021/acs.molpharmaceut.2c00043. Epub 2022 Apr 18. Mol Pharm. 2022. PMID: 35435696
Kinetic Modeling of API Oxidation: (1) The AIBN/H2O/CH3OH Radical "Soup".
Grinberg Dana A, Wu H, Ranasinghe DS, Pickard FC 4th, Wood GPF, Zelesky T, Sluggett GW, Mustakis J, Green WH. Grinberg Dana A, et al. Among authors: pickard fc 4th. Mol Pharm. 2021 Aug 2;18(8):3037-3049. doi: 10.1021/acs.molpharmaceut.1c00261. Epub 2021 Jul 8. Mol Pharm. 2021. PMID: 34236207
Efficient treatment of induced dipoles.
Simmonett AC, Pickard FC 4th, Shao Y, Cheatham TE 3rd, Brooks BR. Simmonett AC, et al. Among authors: pickard fc 4th. J Chem Phys. 2015 Aug 21;143(7):074115. doi: 10.1063/1.4928530. J Chem Phys. 2015. PMID: 26298123 Free PMC article.
Machine Learning Force Field Parameters from Ab Initio Data.
Li Y, Li H, Pickard FC 4th, Narayanan B, Sen FG, Chan MKY, Sankaranarayanan SKRS, Brooks BR, Roux B. Li Y, et al. Among authors: pickard fc 4th. J Chem Theory Comput. 2017 Sep 12;13(9):4492-4503. doi: 10.1021/acs.jctc.7b00521. Epub 2017 Sep 1. J Chem Theory Comput. 2017. PMID: 28800233 Free PMC article.
32 results