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David Rooklin, Ph.D. - Publications

Affiliations: 
Chemistry New York University, New York, NY, United States 
Area:
Enzyme simulations
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8/12 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
2021 Torner JM, Yang Y, Rooklin D, Zhang Y, Arora PS. Identification of Secondary Binding Sites on Protein Surfaces for Rational Elaboration of Synthetic Protein Mimics. Acs Chemical Biology. PMID 34228913 DOI: 10.1021/acschembio.1c00418  0.626
2020 Sadek J, Wuo MG, Rooklin D, Hauenstein A, Hong SH, Gautam A, Wu H, Zhang Y, Cesarman E, Arora PS. Modulation of virus-induced NF-κB signaling by NEMO coiled coil mimics. Nature Communications. 11: 1786. PMID 32286300 DOI: 10.1038/S41467-020-15576-3  0.594
2020 Katigbak J, Li H, Rooklin DW, Zhang Y. AlphaSpace 2.0: Representing Concave Biomolecular Surfaces using Beta-Clusters. Journal of Chemical Information and Modeling. PMID 31995373 DOI: 10.1021/Acs.Jcim.9B00652  0.596
2018 Hou X, Rooklin DW, Yang D, Liang X, Li K, Lu J, Wang C, Xiao P, Zhang Y, Sun JP, Fang H. Computational strategy for bound state structure prediction in structure-based virtual screening: a case study of protein tyrosine phosphatase receptor type O inhibitors. Journal of Chemical Information and Modeling. PMID 30299094 DOI: 10.1021/Acs.Jcim.8B00548  0.618
2017 Rooklin D, Modell AE, Li H, Berdan V, Arora PS, Zhang Y. Targeting Unoccupied Surfaces on Protein-Protein Interfaces. Journal of the American Chemical Society. PMID 28759230 DOI: 10.1021/Jacs.7B05960  0.639
2016 Hou X, Rooklin D, Fang H, Zhang Y. Resveratrol serves as a protein-substrate interaction stabilizer in human SIRT1 activation. Scientific Reports. 6: 38186. PMID 27901083 DOI: 10.1038/Srep38186  0.579
2015 Rooklin D, Wang C, Katigbak J, Arora PS, Zhang Y. AlphaSpace: Fragment-Centric Topographical Mapping To Target Protein-Protein Interaction Interfaces. Journal of Chemical Information and Modeling. 55: 1585-99. PMID 26225450 DOI: 10.1021/Acs.Jcim.5B00103  0.613
2012 Rooklin DW, Lu M, Zhang Y. Revelation of a catalytic calcium-binding site elucidates unusual metal dependence of a human apyrase. Journal of the American Chemical Society. 134: 15595-603. PMID 22928549 DOI: 10.1021/Ja307267Y  0.509
Low-probability matches (unlikely to be authored by this person)
2017 Jovanovic M, Antic D, Rooklin D, Bande A, Michl J. Intuitive Understanding of σ Delocalization in Loose and σ Localization in Tight Helical Conformations of an Oligosilane Chain. Chemistry, An Asian Journal. PMID 28346750 DOI: 10.1002/Asia.201700226  0.159
2003 Fogarty HA, Casher DL, Imhof R, Schepers T, Rooklin DW, Michl J. σ bonds: Electronic structure, photophysics, and photochemistry of oligosilanes Pure and Applied Chemistry. 75: 999-1020. DOI: 10.1351/Pac200375080999  0.095
2003 Rooklin DW, Schepers T, Raymond-Johansson MK, Michl J. Time-dependent density functional theory treatment of the first UV absorption band in all-transoid permethyloligosilanes SinMe2n + 2 (n = 2-8, 10). Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. 2: 511-7. PMID 12803073 DOI: 10.1039/B302087H  0.052
2003 Rooklin DW, Schepers T, Raymond-Johansson MK, Michl J. Time-dependent density functional theory treatment of the first UV absorption band in all-transoid permethyloligosilanes SinMe 2n+2 (n = 2-8, 10) Photochemical and Photobiological Sciences. 2: 511-517. DOI: 10.1039/b302087h  0.012
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