A Coupled Ionization-Conformational Equilibrium Is Required To Understand the Properties of Ionizable Residues in the Hydrophobic Interior of Staphylococcal Nuclease

Author:

Liu Jinfeng123ORCID,Swails Jason4,Zhang John Z. H.15ORCID,He Xiao15ORCID,Roitberg Adrian E.2ORCID

Affiliation:

1. School of Chemistry and Molecular Engineering, Shanghai Engineering Research Center of Molecular Therapeutics and New Drug Development, East China Normal University, Shanghai, 200062, China

2. Department of Chemistry, University of Florida, Gainesville, Florida 32611, United States

3. Department of Basic Medicine and Clinical Pharmacy, China Pharmaceutical University, Nanjing, 210009, China

4. Department of Chemistry and Chemical Biology and BioMaPS Institute, Rutgers University, Piscataway, New Jersey 08854, United States

5. NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai, 200062, China

Funder

Ministry of Science and Technology of the People's Republic of China

New York University

National Natural Science Foundation of China

Central Committee of the Communist Party of China

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

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