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Utility of B-factors in protein science: interpreting rigidity, flexibility, and internal motion and engineering thermostability
Z Sun, Q Liu, G Qu, Y Feng, MT Reetz - Chemical reviews, 2019 - ACS Publications
The term B-factor, sometimes called the Debye–Waller factor, temperature factor, or atomic
displacement parameter, is used in protein crystallography to describe the attenuation of X …
displacement parameter, is used in protein crystallography to describe the attenuation of X …
Lectins
Lectins—carbohydrate-binding proteins involved in a variety of recognition processes—
exhibit considerable structural diversity. Three new lectin folds and further elaborations of …
exhibit considerable structural diversity. Three new lectin folds and further elaborations of …
Overlooked electrolyte destabilization by manganese (II) in lithium-ion batteries
Transition-metal dissolution from cathode materials, manganese in particular, has been held
responsible for severe capacity fading in lithium-ion batteries, with the deposition of the …
responsible for severe capacity fading in lithium-ion batteries, with the deposition of the …
Exploring the stability of ligand binding modes to proteins by molecular dynamics simulations
K Liu, E Watanabe, H Kokubo - Journal of computer-aided molecular …, 2017 - Springer
The binding mode prediction is of great importance to structure-based drug design. The
discrimination of various binding poses of ligand generated by docking is a great challenge …
discrimination of various binding poses of ligand generated by docking is a great challenge …
Enzymatic β-elimination in natural product O- and C-glycoside deglycosylation
J Bitter, M Pfeiffer, AJE Borg, K Kuhlmann… - Nature …, 2023 - nature.com
Biological degradation of natural product glycosides involves, alongside hydrolysis, β-
elimination for glycosidic bond cleavage. Here, we discover an O-glycoside β-eliminase …
elimination for glycosidic bond cleavage. Here, we discover an O-glycoside β-eliminase …
Base-pair resolution analysis of the effect of supercoiling on DNA flexibility and major groove recognition by triplex-forming oligonucleotides
In the cell, DNA is arranged into highly-organised and topologically-constrained
(supercoiled) structures. It remains unclear how this supercoiling affects the detailed double …
(supercoiled) structures. It remains unclear how this supercoiling affects the detailed double …
Synthesis, characterization, molecular docking and molecular dynamics simulations of benzamide derivatives as potential anti-ovarian cancer agents
Abstract A novel (E)-N-cinnamoyl-4-methoxybenzamide (CMB) and (E)-3‑chloro-N-
cinnamoyl-4-methoxybenzamide (CCMB) were synthesized and characterized by using …
cinnamoyl-4-methoxybenzamide (CCMB) were synthesized and characterized by using …
Structural basis of the preferential binding for globo-series glycosphingolipids displayed by Pseudomonas aeruginosa lectin I
B Blanchard, A Nurisso, E Hollville, C Tetaud… - Journal of Molecular …, 2008 - Elsevier
The opportunistic pathogen Pseudomonas aeruginosa contains several carbohydrate-
binding proteins, among which is the P. aeruginosa lectin I (PA-IL), which displays affinity for …
binding proteins, among which is the P. aeruginosa lectin I (PA-IL), which displays affinity for …
Single-chain dimers from de novo immunoglobulins as robust scaffolds for multiple binding loops
Antibody derivatives have sought to recapitulate the antigen binding properties of
antibodies, but with improved biophysical attributes convenient for therapeutic, diagnostic …
antibodies, but with improved biophysical attributes convenient for therapeutic, diagnostic …
Incorporation of sensing modalities into de novo designed fluorescence-activating proteins
Through the efforts of many groups, a wide range of fluorescent protein reporters and
sensors based on green fluorescent protein and its relatives have been engineered in …
sensors based on green fluorescent protein and its relatives have been engineered in …