The roles of water in the protein matrix: a largely untapped resource for drug discovery

F Spyrakis, MH Ahmed, AS Bayden… - Journal of medicinal …, 2017 - ACS Publications
The value of thoroughly understanding the thermodynamics specific to a drug
discovery/design study is well known. Over the past decade, the crucial roles of water …

Coupled dynamics and entropic contribution to the allosteric mechanism of Pin1

A Barman, D Hamelberg - The journal of physical chemistry B, 2016 - ACS Publications
Allosteric communication in proteins regulates a plethora of downstream processes in
subcellular signaling pathways. Describing the effects of cooperative ligand binding on the …

Drying for stabilization of protein formulations

J Horn, HC Mahler, W Friess - Drying Technologies for …, 2020 - Wiley Online Library
Drying can significantly improve the stability of protein drugs compared with liquid
formulation. This chapter discusses mechanisms of protein stabilization in liquid and dried …

Conserved internal hydration motifs in protein kinases

P Setny - Proteins: Structure, Function, and Bioinformatics, 2020 - Wiley Online Library
Crystal structures of diverse protein kinase catalytic subunits reveal a number of water
molecules whose positions within the protein core are better preserved than amino acid …

[图书][B] Studien zu der thaumarchaealen Prolyl-Isomerase NmPin aus Nitrosopumilus maritimus

L Hoppstock - 2016 - search.proquest.com
Abstract Peptidyl-Prolyl-Bindungen (Xaa-Pro) nehmen eine Sonderstellung innerhalb von
Peptiden und Proteinen ein, da sie im Gegensatz zu nicht-prolinhaltigen Peptidindungen …

Biomolecular hydration in protein-protein interaction, protein stability and aggregation and lead optimization: computational studies

MR Pradhan - 2017 - dr.ntu.edu.sg
The role of intracellular water in biomolecular function is well recognized and yet quantifying
this is challenging. This is largely because protein hydration is extremely sensitive to the …

Establishing the Relationship Between Function and Dynamics Within the Gated Mechanism of D-arginine Dehydrogenase

M Souffrant - 2016 - scholarworks.gsu.edu
Enzymes are ubiquitous in biological systems. They catalyze chemical reactions and are
involved in many biochemical processes. The enzyme of interest is Pseudomonas …