Rigid Residue Scan Simulations Systematically Reveal Residue Entropic Roles in Protein Allostery

• Robert Kalescky ,

  Contributed equally to this work with: Robert Kalescky, Hongyu Zhou

  Current address: Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

  Affiliation Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

  ⨯
• Hongyu Zhou ,

  Contributed equally to this work with: Robert Kalescky, Hongyu Zhou

  Affiliation Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

  ⨯
• Jin Liu ,

  * E-mail: jin.liu@unthsc.edu (JL); ptao@smu.edu (PT)

  Affiliations Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America, Department of Pharmaceutical Sciences, University of North Texas System College of Pharmacy, University of North Texas Health Science Center, Fort Worth, Texas, United States of America

  ⨯
• Peng Tao

  * E-mail: jin.liu@unthsc.edu (JL); ptao@smu.edu (PT)

  Affiliation Department of Chemistry, Center for Drug Discovery, Design, and Delivery (CD4), Center for Scientific Computation, Southern Methodist University, Dallas, Texas, United States of America

  http://orcid.org/0000-0002-2488-0239

  ⨯