Abstract:
:During thermal transition and variation of pH, structural properties of 35 proteins and their complexes (bound with substrate and co-factor) were analyzed in detail. During pH alteration, these proteins were shown to have substantial differences in conformations. pH conformers were analyzed in detail. Free energy and other energy parameters were also estimated for these proteins at various pH and temperatures. Detailed structural analysis and binding interfaces of various substrates, inhibitors and cofactor of these proteins were also investigated using docking and molecular dynamic simulation.
journal_name
J Mol Modeljournal_title
Journal of molecular modelingauthors
Bhattacharya P,Ganeshan T,Nandi S,Srivastava A,Singh P,Rehan M,Rashkush R,Subbarao N,Lynn Adoi
10.1007/s00894-008-0365-1subject
Has Abstractpub_date
2009-09-01 00:00:00pages
1013-25issue
9eissn
1610-2940issn
0948-5023journal_volume
15pub_type
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