Patent ID: 8688387
Filing Date: 2014-04-01
Classification: G16B,G16C,Y10T

Abstract:
1. A method for binding together at least two molecules, at least one target and at least one interacting molecule, so as to obtain a molecular complex, in an aqueous solution wherein the at least one target molecule is in a first library and the at least one interacting molecule is in a second library, said method comprising the steps of (I) determining an interaction of each combination of a molecule from the first library and a molecule from the second library using a sufficiently programmed computer by the following steps: (a) determining a dehydration energy (ΔG (b) adding a vacuum hydrogen bond energy (ε (c) adding to the result (a)+(b) a change in the free enthalpy of the target molecule interacting with the at least one molecule upon their interaction so as to obtain possible molecular interactions, (II) identifying at least one interacting molecule that is capable of binding to the target molecule from the possible molecular interactions and (III) pairing the identified interacting molecule, so that the target molecule is bound to the identified interacting molecule so as to obtain a molecular complex.