An update of label-free protein target identification methods for natural active products.
PMID:35198076
GSK-3β, FYN, and DYRK1A: Master Regulators in Neurodegenerative Pathways.
PMID:34445804
Physical Chemistry of the Protein Backbone: Enabling the Mechanisms of Intrinsic Protein Disorder.
PMID:32349480
Domain sliding of two Staphylococcus aureus N-acetylglucosaminidases enables their substrate-binding prior to its catalysis.
PMID:32313083
Molecular dynamics simulations and linear response theories jointly describe biphasic responses of myoglobin relaxation and reveal evolutionarily conserved frequent communicators.
PMID:31984199
Allosteric response to ligand binding: Molecular dynamics study of the N-terminal domains in IP 3 receptor.
PMID:31984176
Large-Scale Conformational Changes and Protein Function: Breaking the in silico Barrier.
PMID:31750315
Inherent versus induced protein flexibility: Comparisons within and between apo and holo structures.
PMID:30699115
Inhibition of tumor-microenvironment interaction and tumor invasion by small-molecule allosteric inhibitor of DDR2 extracellular domain.
PMID:30061414
Thermodynamics of Conformational Transitions in a Disordered Protein Backbone Model.
PMID:29925017
On the folding of a structurally complex protein to its metastable active state.
PMID:29343647
Interactive comparison and remediation of collections of macromolecular structures.
PMID:28901593
Elastic network model of learned maintained contacts to predict protein motion.
PMID:28854238
Changes in hydration structure are necessary for collective motions of a multi-domain protein.
PMID:27193111
In the multi-domain protein adenylate kinase, domain insertion facilitates cooperative folding while accommodating function at domain interfaces.
PMID:25393408
Ligand-induced protein responses and mechanical signal propagation described by linear response theories.
PMID:25229149
Global analysis of protein structural changes in complex proteomes.
PMID:25218519
Quantitative method for the assignment of hinge and shear mechanism in protein domain movements.
PMID:25078396
Conditionally and transiently disordered proteins: awakening cryptic disorder to regulate protein function.
PMID:24502763
The designability of protein switches by chemical rescue of structure: mechanisms of inactivation and reactivation.
PMID:24313858
Classification of domain movements in proteins using dynamic contact graphs.
PMID:24260562
Protein conformational switches: from nature to design.
PMID:22688954
Composite structural motifs of binding sites for delineating biological functions of proteins.
PMID:22347478
PSCDB: a database for protein structural change upon ligand binding.
PMID:22080505