Abstract:
:The indirect solvent-induced effect on the free energy of binding of biopolymers is examined within the framework of classical statistical mechanics. We focus specifically on the role of the solute-solvent hydrogen bonding. In particular, we have estimated the first order solvent effect on the indirect interaction between two biopolymers. We find that the solvent-induced interactions between two hydrophilic groups through water-bridged hydrogen bonds could significantly enhance the binding free energy. Some preliminary estimates indicate that this effect is significant and perhaps could be crucial in molecular recognition processes. Furthermore, we have calculated, from crystal structure data, the distance distribution between all the oxygens and nitrogens on the surface of some proteins that do not belong to the binding domain. In most cases we found an enhanced peak in the range of 4-5 A, which is where we expect to find strong solvent-induced interactions.
journal_name
Biopolymersjournal_title
Biopolymersauthors
Ben-Naim A,Ting KL,Jernigan RLdoi
10.1002/bip.360290604subject
Has Abstractpub_date
1990-05-01 00:00:00pages
901-19issue
6-7eissn
0006-3525issn
1097-0282journal_volume
29pub_type
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