Rational discovery of dual-indication multi-target PDE/Kinase inhibitor for precision anti-cancer therapy using structural systems pharmacology

• Hansaim Lim ,

  Contributed equally to this work with: Hansaim Lim, Di He, Yue Qiu

  Roles Methodology, Software, Writing – original draft

  Affiliation Ph.D. Program in Biochemistry, The Graduate Center, The City University of New York, New York, New York, United States of America

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• Di He ,

  Contributed equally to this work with: Hansaim Lim, Di He, Yue Qiu

  Roles Formal analysis, Writing – original draft

  Affiliation Ph.D. Program in Computer Science, The Graduate Center, The City University of New York, New York, New York, United States of America

  http://orcid.org/0000-0002-0908-9123

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• Yue Qiu ,

  Contributed equally to this work with: Hansaim Lim, Di He, Yue Qiu

  Roles Formal analysis, Writing – original draft

  Affiliation Ph.D. Program in Biology, The Graduate Center, The City University of New York, New York, New York, United States of America

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• Patrycja Krawczuk,

  Roles Formal analysis

  Affiliation Department of Computer Science, Hunter College, The City University of New York, New York, New York, United States of America

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• Xiaoru Sun,

  Roles Formal analysis

  Affiliations Department of Computer Science, Hunter College, The City University of New York, New York, New York, United States of America, Department of Biostatistics, School of Public Heath, Shandong University, Jinan, Shandong, People’s Republic of China

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• Lei Xie

  Roles Conceptualization, Funding acquisition, Methodology, Project administration, Resources, Software, Supervision, Validation, Writing – original draft

  * E-mail: lei.xie@hunter.cuny.edu

  Affiliations Ph.D. Program in Biochemistry, The Graduate Center, The City University of New York, New York, New York, United States of America, Ph.D. Program in Computer Science, The Graduate Center, The City University of New York, New York, New York, United States of America, Ph.D. Program in Biology, The Graduate Center, The City University of New York, New York, New York, United States of America, Department of Computer Science, Hunter College, The City University of New York, New York, New York, United States of America

  http://orcid.org/0000-0001-9051-2111

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