Abstract: The present disclosure relates to methods and computational tools based, at least in part, on computer simulations that identify hot-spot amino acid residues and binding-region amino acid residues of a protein.

Abstract: One aspect of the invention is a salt comprising guanidinium groups, as shown in formula I. Another aspect of the invention is a salt comprising guanidinium groups, as shown in formula II. Another aspect of the invention is a salt comprising guanidinium groups, as shown in formula III. Another aspect of the invention is a salt comprising guanidinium groups, as shown in formula IV. Yet another aspect of the invention is a salt comprising guanidinium groups, as shown in formula I, II, III, and IV further comprising independently for each occurrence citrate, phosphate, or sulfate anion. Also disclosed are compositions comprising a protein and a salt comprising guanidinium groups, as shown in formula I, II, III, and IV. Also provided are methods of increasing shelf life of an aqueous solution of a protein and decreasing the amount of protein aggregation in an aqueous solution of a protein.

Abstract: The present disclosure relates to methods and computational tools based, at least in part, on computer simulations that identify hot-spot amino acid residues and binding-region amino acid residues of a protein.

Abstract: One aspect of the invention is a salt comprising guanidinium groups, as shown in formula I. Another aspect of the invention is a salt comprising guanidinium groups, as shown in formula II. Another aspect of the invention is a salt comprising guanidinium groups, as shown in formula III. Another aspect of the invention is a salt comprising guanidinium groups, as shown in formula IV. Yet another aspect of the invention is a salt comprising guanidinium groups, as shown in formula I, II, III, and IV further comprising independently for each occurrence citrate, phosphate, or sulfate anion. Also disclosed are compositions comprising a protein and a salt comprising guanidinium groups, as shown in formula I, II, III, and IV. Also provided are methods of increasing shelf life of an aqueous solution of a protein and decreasing the amount of protein aggregation in an aqueous solution of a protein.

Abstract: In part, the present invention relates to a compound or polymer comprising a non-protein-binding moiety and at least one protein-binding group. The present invention relates to a method of screening compounds or polymers for the property of inhibiting protein aggregation in solution, a method of preparing a compound or polymer having the property of protein aggregation inhibition in solution, a method of classifying a compound or polymer as either inhibitory of protein aggregation in solution or not inhibitory of protein aggregation in solution, and to a method of determining the preferential binding coefficient, ?XP, of an additive in a protein solution. The present invention also relates to a method of suppressing or preventing aggregation of a protein in solution, a method of decreasing the toxicological risk associated with administering a protein to a mammal in need thereof, and a method of facilitating native folding of a recombinant protein in solution.