QM/MM and MM MD simulations on decontamination of the V-type nerve agent VX by phosphotriesterase: toward a comprehensive understanding of steroselectivity …
F Fan, Y Zheng, Y Fu, Y Zhang, H Zheng… - Physical Chemistry …, 2022 - pubs.rsc.org
Due to deadly toxicity and high environmental stability of the nerve agent VX, an efficient
decontamination approach is desperately needed in tackling its severe threat to human …
decontamination approach is desperately needed in tackling its severe threat to human …
A Comprehensive Understanding of Enzymatic Catalysis by Hydroxynitrile Lyases with S Stereoselectivity from the α/β-Hydrolase Superfamily: Revised Role of the …
Y Zhao, N Chen, C Wang, Z Cao - ACS Catalysis, 2016 - ACS Publications
The highly homologous hydroxynitrile lyases from Manihot esculent (Me HNL) and Hevea
brasiliensis (Hb HNL) both belong to the α/β-hydrolase superfamily, and they convert …
brasiliensis (Hb HNL) both belong to the α/β-hydrolase superfamily, and they convert …
Mechanism of the glycosidic bond cleavage of mismatched thymine in human thymine DNA glycosylase revealed by classical molecular dynamics and quantum …
N Kanaan, R Crehuet, P Imhof - The Journal of Physical Chemistry …, 2015 - ACS Publications
Base excision of mismatched or damaged nucleotides catalyzed by glycosylase enzymes is
the first step of the base excision repair system, a machinery preserving the integrity of DNA …
the first step of the base excision repair system, a machinery preserving the integrity of DNA …
Hydrolytic glycosidic bond cleavage in RNA nucleosides: effects of the 2′-hydroxy group and acid–base catalysis
SAP Lenz, JD Kohout, SD Wetmore - The Journal of Physical …, 2016 - ACS Publications
Despite the inherent stability of glycosidic linkages in nucleic acids that connect the
nucleobases to sugar–phosphate backbones, cleavage of these bonds is often essential for …
nucleobases to sugar–phosphate backbones, cleavage of these bonds is often essential for …
Molecular insight into chymotrypsin inhibitor 2 resisting proteolytic degradation
W Wei, Y Chen, D Xie, Y Zhou - Physical Chemistry Chemical Physics, 2019 - pubs.rsc.org
Chymotrypsin inhibitor 2 (CI2) is a special serine protease inhibitor which can resist
hydrolysis for several days with a rapid equilibrium between the Michaelis complex and acyl …
hydrolysis for several days with a rapid equilibrium between the Michaelis complex and acyl …
QM/MM and MM MD simulations on the pyrimidine-specific nucleoside hydrolase: a comprehensive understanding of enzymatic hydrolysis of uridine
The pyrimidine-specific nucleoside hydrolase Yeik (CU-NH) from Escherichia coli cleaves
the N-glycosidic bond of uridine and cytidine with a 102–104-fold faster rate than that of …
the N-glycosidic bond of uridine and cytidine with a 102–104-fold faster rate than that of …
Mechanistic Insights of a Non-specific Inosine-Uridine Nucleoside Hydrolase (IU-NH) found in Arabidopsis thaliana
JG Griner - 2024 - search.proquest.com
Herbicides are crucial tools used to control unwanted vegetation to increase crop yields and
landscape aesthetics. Current herbicides target metabolic pathways for protein production in …
landscape aesthetics. Current herbicides target metabolic pathways for protein production in …
Global simulations of enzymatic catalysis
Y ZHAO, ZX CAO - Acta Physico-Chimica Sinica, 2017 - ingentaconnect.com
Enzymatic catalytic processes generally involve substrate delivery, selective catalytic
reaction, and product release. Owing to the complex protein environment effect, any …
reaction, and product release. Owing to the complex protein environment effect, any …
酶催化过程的全程模拟
赵媛, 曹泽星 - 物理化学学报, 2017 - whxb.pku.edu.cn
酶催化包括底物到活性区的输运, 选择催化化学反应及产物释放等复杂过程,
由于复杂的蛋白质环境效应, 任一化学和非化学过程都有可能是决定酶活性的关键步骤 …
由于复杂的蛋白质环境效应, 任一化学和非化学过程都有可能是决定酶活性的关键步骤 …
Linking inhibitor motions to proteolytic stability of sunflower trypsin inhibitor-1
W Wei, J Ma, D Xie, Y Zhou - RSC advances, 2019 - pubs.rsc.org
The remarkable capability of an enzyme isn't only determined by its active site but also
controlled by the environment. To unravel the environment role in catalysis, the dynamic …
controlled by the environment. To unravel the environment role in catalysis, the dynamic …