Entrophy/Enthalpy Compensation

2018
J. M. Fox, M. Zhao, M.J. Fink, K. Kang, and G. M. Whitesides. 2018. “The Molecular Origin of Enthalpy/Entropy Compensation in Biomolecular Recognition.” Annual Review of Biophysics, 47, Pp. 223-250. PDF
1305
2013
M. R. Lockett, H. Lange, B. Breiten, A. Heroux, W. Sherman, D. Rappoport, P. O. Yau, P. W. Snyder, and G. M. Whitesides. 2013. “The Binding of Benzoarylsulfonamide Ligands to Human Carbonic Anhydrase is Insensitive to Formal Fluorination of the Ligand.” Angew. Chemie., 125, Pp. 7868-7871. PDF
1182
P. W. Snyder, M. R. Lockett, D. T. Moustakas, and G. M. Whitesides. 2013. “Is it the Shape of the Cavity, or the Shape of the Water in the Cavity?” European Physical Journal Special Topics, 223, Pp. 853-891. PDF
1185
B. Breiten, M. R. Lockett, W. Sherman, S. Fujita, M. Al-Sayah, H. Lange, C. M. Bowers, A. Heroux, G. Krilov, and G. M. Whitesides. 2013. “Water Networks Contribute to Enthalpy/Enthropy Compensation in Protein-Ligand Binding.” J. Amer. Chem. Soc., 135, Pp. 15579-15584. PDF
1195
2012
E. T. Mack, P. W. Snyder, R. Perez-Castillejos, B. Bilgicer, D. T. Moustakas, M. J. Butte, and G. M. Whitesides. 2012. “Dependence of Avidity on Linker Length for a Bivalent Ligand-Bivalent Receptor Model System.” J. Amer. Chem. Soc., 134, Pp. 333-345.Abstract
PMCID:PMC3272676
PDF Supplemental
1138
K. A. Mirica, M. R. Lockett, P. W. Snyder, N. D. Shapiro, E. T. Mack, S. Nam, and G. M. Whitesides. 2012. “Selective Precipitation and Purification of Monovalent Proteins Using Oligovalent Ligands and Ammonium Sulfate.” Bioconjugate Chem., 23, Pp. 293-299.Abstract
PMCID: PMC3288307
PDF Supplemental
1142
2011
J. Mecinovic, P. W. Snyder, K. A. Mirica, S. Bai, E. T. Mack, R. L. Kwant, D. T. Moustakas, A. Herous, and G. M. Whitesides. 2011. “Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities in Binding to the "Hydrophobic Wall" of Carbonic Anhydrase.” J. Amer. Chem. Soc., 133, Pp. 14017-14026.Abstract
PMCID:3171206
PDF Supplemental
1127
P. W. Snyder, J. Mecinovic, D. T. Moustakas, S. W. Thomas, M. Harder, E. T. Mack, M. R. Lockett, A. Heroux, W. Sherman, and G. M. Whitesides. 2011. “Mechanism of the Hydrophobic Effect in the Biomolecular Recognition of Arylsulfonamides by Carbonic Anhydrase.” Proc. Natl. Acad. Sci. USA, 108, Pp. 17889-17894.Abstract
KEYWORDS: carbonic anhydrase; aromatic sulfonamides; hydrophobic effect; molecular recognitionPMC3207675
PDF Supplemental
1134
2008
G. M. Whitesides, P. W. Snyder, D. T. Moustakas, and K. A. Mirica. 2008. “Designing Ligands to Bind Tightly to Proteins.” In Physical Biology: From Atoms to Medicine, edited by A. H. Zewail, 9th ed., Pp. 189-215. London: Imperial College Press. PDF
1026
2007
V.M. Krishnamurthy, V. Semetey, P. J. Bracher, N. Shen, and G. M. Whitesides. 2007. “Dependence of Effective Molarity on Linker Length for an Intramolecular Protein-Ligand System.” J. Amer. Chem. Soc., 129, Pp. 1312-1320. 979.pdf
979
2006
V.M. Krishnamurthy, L. A. Estroff, and G. M. Whitesides. 2006. “Multivalency in Ligand Design.” In Fragment-based Approaches in Drug Discovery, edited by R. Mannhold, H. Kubinyi, and G. Folkers, 34: Pp. 11-53. Weinheim: WILEY-VCH Verlag GmbH & Co. 963.pdf
963
2005
G. M. Whitesides and V.M. Krishnamurthy. 2005. “Designing Ligands to Bind Proteins.” Quarterly Reviews of Biophysics, 38, Pp. 385-395. PDF
941
2002
B. A. Grzybowski, A. V. Ishchenko, C. Y. Kim, G. Topalov, R. G. Chapman, D.W. Christianson, G. M. Whitesides, and E. I. Shakhnovich. 2002. “Combinatorial Computational Methods Give New Picomolar Ligands for a Known Enzyme.” Proc. Nat. Acad. Sci. USA, 99, Pp. 1270-1273. PDF
774
1998
D. N. Chin, A. Y. Lau, and G. M. Whitesides. 1998. “Studying How Different Terminal Groups Change the Motion of H2NSO2C6H4CONH(EG)3R When Bound to the Active Site of Human Carbonic Anhydrase II.” Journal of Organic Chemistry, 63, Pp. 938-945. PDF
606
M. Mammen, E. I. Shakhnovich, and G. M. Whitesides. 1998. “Using a Convenient, Quantitative Model for Torsional Entropy To Establish Qualitative Trends for Molecular Processes That Restrict Conformational Freedom.” Journal of Organic Chemistry, 63, Pp. 3168-3175. PDF
585
1996
G. B. Sigal and G. M. Whitesides. 1996. “Benzenesulfonamide-Peptide Conjugates as Probes for Secondary Binding Sites Near the Active Site of Carbonic Anhydrase.” Bioorg. & Med. Chem. Lett., 6, Pp. 559-564. PDF
493
1995
P.A. Boriack, D.W. Christianson, J. E. Kingery-Wood, and G. M. Whitesides. 1995. “Secondary Interactions Significantly Removed from the Sulfonamide Binding Pocket of Carbonic Anhydrase II Influence Binding Constants.” J. Med. Chem., 38, Pp. 2286-2291. PDF
459