Search Results - "Sharp, A. K."

The Maximal Affinity of Ligands by Kuntz, I. D., Chen, K., Sharp, K. A., Kollman, P. A.

“…We explore the question of what are the best ligands for macromolecular targets. A survey of experimental data on a large number of the strongest-binding…”
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Protein folding and association: insights from the interfacial and thermodynamic properties of hydrocarbons by Nicholls, A, Sharp, K A, Honig, B

“…We demonstrate in this work that the surface tension, water-organic solvent, transfer-free energies and the thermodynamics of melting of linear alkanes provide…”
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Identification of additional IDH mutations associated with oncometabolite R(−)-2-hydroxyglutarate production by Ward, P S, Cross, J R, Lu, C, Weigert, O, Abel-Wahab, O, Levine, R L, Weinstock, D M, Sharp, K A, Thompson, C B

“…Mutations in cytosolic isocitrate dehydrogenase 1 (IDH1) or its mitochondrial homolog IDH2 can lead to R (−)-2-hydroxyglutarate (2HG) production. To date,…”
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Bacterial contamination of domestic kitchens over a 24-hour period by Haysom, I.W, Sharp, A.K

“…Purpose - Many cases of food poisoning originate in the domestic environment and can be associated with improper food handling and ineffective cleaning by…”
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Extracting hydrophobic free energies from experimental data: relationship to protein folding and theoretical models by Sharp, Kim A, Nicholls, Anthony, Friedman, Richard, Honig, Barry

“…Solubility and vapor pressure measurements of hydrocarbons in water are generally thought to provide estimates of the strength of the hydrophobic effect in the…”
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Evolution at Spike protein position 519 in SARS-CoV-2 facilitated adaptation to humans by Cereghino, C., Michalak, K., DiGiuseppe, S., Guerra, J., Yu, D., Faraji, A., Sharp, A. K., Brown, A. M., Kang, L., Weger-Lucarelli, J., Michalak, P.

“…As the COVID-19 pandemic enters its fourth year, the pursuit of identifying a progenitor virus to SARS-CoV-2 and understanding the mechanism of its emergence…”
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Reconciling the Magnitude of the Microscopic and Macroscopic Hydrophobic Effects by Sharp, Kim A., Nicholls, Anthony, Fine, Richard F., Honig, Barry

“…The magnitude of the hydrophobic effect, as measured from the surface area dependence of the solubilities of hydrocarbons in water, is generally thought to be…”
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Water Channel of Horseradish Peroxidase Studied by the Charge-Transfer Absorption Band of Ferric Heme by Zelent, B, Kaposi, A. D, Nucci, N. V, Sharp, K. A, Dalosto, S. D, Wright, W. W, Vanderkooi, J. M

“…The heme of horseradish peroxidase is buried in the protein, but a channel from the protein surface connects the aqueous solution to the heme site. Ferric…”
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Calculations of the electrostatic potential adjacent to model phospholipid bilayers by Peitzsch, R.M., Eisenberg, M., Sharp, K.A., McLaughlin, S.

“…We used the nonlinear Poisson-Boltzmann equation to calculate electrostatic potentials in the aqueous phase adjacent to model phospholipid bilayers containing…”
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Salt effects on protein-DNA interactions. The lambda cI repressor and EcoRI endonuclease by Misra, V K, Hecht, J L, Sharp, K A, Friedman, R A, Honig, B

“…In this paper, finite-difference solutions to the nonlinear Poisson-Boltzmann (NLPB) equation are used to calculate the salt dependent contribution to the…”
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Analysis of the heat capacity dependence of protein folding by Yang, A S, Sharp, K A, Honig, B

“…This paper presents an analysis of plots of enthalpy versus heat capacity change at 25 degrees C for the unfolding of proteins and for the dissolution of…”
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Calculation of electrostatic effects at the amino terminus of an alpha helix by Sitkoff, D., Lockhart, D.J., Sharp, K.A., Honig, B.

“…It is generally believed that the electrostatic field arising from the dipolar charge distribution in alpha helices is important for protein structure and…”
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Electric Field and Conformational Effects of Cytochrome c and Solvent on Cytochrome c Peroxidase Studied by High-Resolution Fluorescence Spectroscopy by Anni, H, Vanderkooi, J. M, Sharp, K. A, Yonetani, T, Hopkins, S. C, Herenyi, L, Fidy, J

“…Electronic spectra of mesoporphyrin-substituted yeast cytochrome c peroxidase (MP-CcP) were measured as a function of pH, ionic strength, and binding of…”
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Linkage of thioredoxin stability to titration of ionizable groups with perturbed pKa by Langsetmo, Knut, Fuchs, James A, Woodward, Clare, Sharp, Kim A

“…The highly conserved, buried, Asp 26 in Escherichia coli thioredoxin has a pKa = 7.5, and its titration is associated with a sizable destabilization of the…”
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Calculation of Electron Transfer Reorganization Energies Using the Finite Difference Poisson-Boltzmann Model by Sharp, Kim A.

“…A description is given of a method to calculate the electron transfer reorganization energy ( λ) in proteins using the linear or nonlinear Poisson-Boltzmann…”
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Theory of the electrokinetic behavior of human erythrocytes by Levine, S., Levine, M., Sharp, K.A., Brooks, D.E.

“…We develop a theory of electrophoresis of human erythrocytes that predicts mobilities significantly smaller than those based on the classical Smoluchowski…”
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Entropy in protein folding and in protein—protein interactions by Brady, G Patrick, Sharp, Kim A

“…The reduction of conformational entropy is a major barrier that has to be overcome in protein folding and binding. Changes in solvent entropy are also a major…”
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Electrostatic interactions in macromolecules : theory and applications by SHARP, K. A, HONIG, B

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Hydration Heat Capacity of Nucleic Acid Constituents Determined from the Random Network Model by Madan, Bhupinder, Sharp, Kim A.

“…The heat capacities of hydration ( dCp) of the five nucleic acid bases A, G, C, T, and U, the sugars ribose and deoxyribose, and the phosphate backbone were…”
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Electrical potential of transfer RNAs: codon-anticodon recognition by Sharp, Kim A, Honig, Barry, Harvey, Stephen C

“…Calculations of the electrostatic potentials were made around yeast elongator phenylalanine, aspartate tRNAs, and yeast initiator methionine tRNA in aqueous…”
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