Sankar Basu

TL;DR: An expansion of DelPhiPKa functionality to enable inclusion of salt in the modeling protocol is reported, revealing that correlation between experimental and calculated pKa's is improved significantly by taking into consideration the presence of salt.

TL;DR: A new edition of the popular software package DelPhi is reported, showing that multiprocessing results in significant improvement of computational time and the approach of memory distribution is shown to reduce the requirement of RAM and thus permitting large‐scale modeling to be done on Linux clusters with moderate architecture.

TL;DR: In this paper, a review of the mechanistic view of NM-protein interaction and recapitulate the underlying physical chemistry behind the formation of such complicated macromolecular assemblies, to provide a critical overview of different models describing NM induced structural and functional modification of proteins.

TL;DR: The modes of association of salt bridges within globular proteins and at protein–protein interfaces are analyzed to help guide efforts to elucidate the modus operandi of these partially disordered proteins, and to conceptualize how these proteins manage to maintain the required amount of disorder even in their bound forms.