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Dong Fang, Ph.D. - Publications

Affiliations: 
2014 Chemistry Wayne State University, Detroit, MI, United States 
Area:
Theoretical Chemistry, Computational Chemistry
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17 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2018 Roston D, Lu X, Fang D, Demapan D, Cui Q. Analysis of Phosphoryl-Transfer Enzymes with QM/MM Free Energy Simulations. Methods in Enzymology. 607: 53-90. PMID 30149869 DOI: 10.1016/Bs.Mie.2018.05.005  0.386
2017 Santos TMA, Lammers MG, Zhou M, Sparks IL, Rajendran M, Fang D, De Jesus CLY, Carneiro GFR, Cui Q, Weibel DB. Small molecule chelators reveal that iron starvation inhibits late stages of bacterial cytokinesis. Acs Chemical Biology. PMID 29227619 DOI: 10.1021/Acschembio.7B00560  0.362
2017 Liang D, Hong J, Fang D, Bennett JW, Mason SE, Hamers RJ, Cui Q. Analysis of the conformational properties of amine ligands at the gold/water interface with QM, MM and QM/MM simulations. Physical Chemistry Chemical Physics : Pccp. PMID 29226924 DOI: 10.1039/C7Cp06709G  0.385
2017 Troiano JM, McGeachy AC, Olenick LL, Fang D, Liang D, Hong J, Kuech TR, Caudill E, Pedersen JA, Cui Q, Geiger FM. Quantifying the Electrostatics of Polycation-Lipid Bilayer Interactions. Journal of the American Chemical Society. PMID 28358209 DOI: 10.1021/Jacs.6B12887  0.343
2016 Lu X, Fang D, Ito S, Okamoto Y, Ovchinnikov V, Cui Q. QM/MM free energy simulations: recent progress and challenges. Molecular Simulation. 42: 1056-1078. PMID 27563170 DOI: 10.1080/08927022.2015.1132317  0.379
2016 Lu J, Hu L, Cheng J, Fang D, Wang C, Yu K, Jiang H, Cui Q, Xu Y, Luo C. A computational investigation on the substrate preference of ten-eleven-translocation 2 (TET2). Physical Chemistry Chemical Physics : Pccp. PMID 26799843 DOI: 10.1039/C5Cp07266B  0.426
2015 Hu L, Lu J, Cheng J, Rao Q, Li Z, Hou H, Lou Z, Zhang L, Li W, Gong W, Liu M, Sun C, Yin X, Li J, Tan X, ... ... Fang D, et al. Structural insight into substrate preference for TET-mediated oxidation. Nature. PMID 26524525 DOI: 10.1038/Nature15713  0.394
2015 Fang D, Duke RE, Cisneros GA. A new smoothing function to introduce long-range electrostatic effects in QM/MM calculations. The Journal of Chemical Physics. 143: 044103. PMID 26233103 DOI: 10.1063/1.4926652  0.559
2015 Bellow JA, Yousif M, Fang D, Kratz EG, Cisneros GA, Groysman S. Synthesis and Reactions of 3d Metal Complexes with the Bulky Alkoxide Ligand [OC(t)Bu2Ph]. Inorganic Chemistry. 54: 5624-33. PMID 26043187 DOI: 10.1021/Acs.Inorgchem.5B00795  0.61
2015 Fang B, Hou G, Zi G, Fang DC, Walter MD. A thorium metallacyclopentadiene complex: a combined experimental and computational study. Dalton Transactions (Cambridge, England : 2003). 44: 7927-34. PMID 25824523 DOI: 10.1039/C5Dt00838G  0.461
2015 Fang B, Zhang L, Hou G, Zi G, Fang DC, Walter MD. Experimental and Computational Studies on an Actinide Metallacyclocumulene Complex Organometallics. 34: 5669-5681. DOI: 10.1021/Acs.Organomet.5B00923  0.507
2014 Fang D, Cisneros GA. Alternative Pathway for the Reaction Catalyzed by DNA Dealkylase AlkB from Ab Initio QM/MM Calculations. Journal of Chemical Theory and Computation. 10: 5136-5148. PMID 25400523 DOI: 10.1021/Ct500572T  0.627
2014 Fang D, Piquemal JP, Liu S, Cisneros GA. DFT-steric-based energy decomposition analysis of intermolecular interactions Theoretical Chemistry Accounts. 133: 1-14. DOI: 10.1007/S00214-014-1484-7  0.549
2013 Fang D, Chaudret R, Piquemal JP, Cisneros GA. Toward a Deeper Understanding of Enzyme Reactions Using the Coupled ELF/NCI Analysis: Application to DNA Repair Enzymes. Journal of Chemical Theory and Computation. 9: 2156-60. PMID 26583709 DOI: 10.1021/Ct400130B  0.575
2013 Bellow JA, Fang D, Kovacevic N, Martin PD, Shearer J, Cisneros GA, Groysman S. Novel alkoxide cluster topologies featuring rare seesaw geometry at transition metal centers. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 12225-8. PMID 23934604 DOI: 10.1002/Chem.201302558  0.541
2013 Fang D, Lord RL, Cisneros GA. Ab initio QM/MM calculations show an intersystem crossing in the hydrogen abstraction step in dealkylation catalyzed by AlkB. The Journal of Physical Chemistry. B. 117: 6410-20. PMID 23642148 DOI: 10.1021/Jp403116E  0.604
2013 Fang D, Chaudret R, Piquemal JP, Cisneros GA. Toward a deeper understanding of enzyme reactions using the coupled ELF/NCI analysis: Application to DNA repair enzymes Journal of Chemical Theory and Computation. 9: 2156-2160. DOI: 10.1021/ct400130b  0.507
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