Kinetic Study and Molecular Dynamics Dimulation of Two Novel Mannose Isomerases

2021 ◽  
Author(s):  
Qiuming Chen ◽  
Yanchang Wu ◽  
Zhaolin Huang ◽  
Wenli Zhang
Keyword(s):  
Molecular Dynamics ◽  
Kinetic Study ◽  
Nutritional Supplement ◽  
Physiological Functions

D-Mannose can be used as a nutritional supplement due to its physiological functions. It can be directly converted from abundant D-fructose using mannose isomerase (MIase) as a biocatalyst. In this...

Molecular dynamics and kinetic study of carbon coagulation in the release wave of detonation products

2012 ◽  
Vol 136 (8) ◽  
pp. 084506 ◽  
Author(s):  
Guillaume Chevrot ◽  
Arnaud Sollier ◽  
Nicolas Pineau
Keyword(s):  
Molecular Dynamics ◽  
Kinetic Study ◽  
Detonation Products ◽  
Release Wave

Molecular Dynamics Kinetic Study on the Zeolite-Catalyzed Benzene Methylation in ZSM-5

ACS Catalysis ◽  
2013 ◽  
Vol 3 (11) ◽  
pp. 2556-2567 ◽  
Author(s):  
Samuel L. C. Moors ◽  
Kristof De Wispelaere ◽  
Jeroen Van der Mynsbrugge ◽  
Michel Waroquier ◽  
Veronique Van Speybroeck
Keyword(s):  
Molecular Dynamics ◽  
Kinetic Study

scholarly journals Sec14-like phosphatidylinositol-transfer proteins and diversification of phosphoinositide signalling outcomes

2014 ◽  
Vol 42 (5) ◽  
pp. 1383-1388 ◽  
Author(s):  
Ashutosh Tripathi ◽  
Aaron H. Nile ◽  
Vytas A. Bankaitis
Keyword(s):  
Molecular Dynamics ◽  
Recent Work ◽  
Biological Activities ◽  
Model Organisms ◽  
Physiological Functions ◽  
Phosphatidylinositol Transfer ◽  
Phosphatidylinositol Transfer Proteins

The physiological functions of phosphatidylinositol (PtdIns)-transfer proteins (PITPs)/phosphatidylcholine (PtdCho)-transfer proteins are poorly characterized, even though these proteins are conserved throughout the eukaryotic kingdom. Much of the progress in elucidating PITP functions has come from exploitation of genetically tractable model organisms, but the mechanisms for how PITPs execute their biological activities remain unclear. Structural and molecular dynamics approaches are filling in the details for how these proteins actually work as molecules. In the present paper, we discuss our recent work with Sec14-like PITPs and describe how PITPs integrate diverse territories of the lipid metabolome with phosphoinositide signalling.

Molecular dynamics investigation on the interaction of human angiotensin-converting enzyme with tetrapeptide inhibitors

2021 ◽  
Author(s):  
Xiaoting Liu ◽  
Zheren Wang ◽  
Yawen Gao ◽  
Chunlei Liu ◽  
Ji Wang ◽  
...  
Keyword(s):  
Blood Pressure ◽  
Molecular Dynamics ◽  
Angiotensin Converting Enzyme ◽  
Peptide Inhibitors ◽  
Blood Pressure Regulation ◽  
Pressure Regulation ◽  
Converting Enzyme ◽  
Physiological Functions

Angiotensin-converting enzyme (ACE) is a well-known zinc metalloenzyme whose physiological functions are vital to blood pressure regulation and management of hypertension. The development of more efficient peptide inhibitors is of...

Kinetic study of the OH + HO2 → H2O + O2 reaction using ring polymer molecular dynamics and quantum dynamics

2020 ◽  
Vol 22 (41) ◽  
pp. 23657-23664
Author(s):  
Yang Liu ◽  
Hongwei Song ◽  
Jun Li
Keyword(s):  
Molecular Dynamics ◽  
Potential Energy ◽  
Potential Energy Surface ◽  
Kinetic Study ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Title Reaction ◽  
Ring Polymer ◽  
Ring Polymer Molecular Dynamics ◽  
Kinetics Of

The kinetics of the title reaction is studied by running the ring polymer molecular dynamics and quantum dynamics on an accurate potential energy surface.

A Molecular Dynamics Study of the Cyanobacterial Clock Protein KaiA

2013 ◽  
Vol 749 ◽  
pp. 338-343
Author(s):  
Liu Sen ◽  
Dong Pei
Keyword(s):  
Molecular Dynamics ◽  
Circadian Rhythms ◽  
Feedback Loop ◽  
Circadian System ◽  
Circadian Rhythmicity ◽  
Physiological Functions ◽  
Clock Protein

Regulation of daily physiological functions with a ~24-hour periodicity, or circadian rhythms, exists in both eukaryotes and prokaryotes. So far, cyanobacteria are only known prokaryotes proved to have circadian rhythmicity. The circadian system in cyanobacteria comprises a post-translational oscillator (PTO) and a transcriptional/translational feedback loop (TTFL). The PTO comprise of three proteins (KaiA, KaiB, KaiC), and can be reconstituted in vitro with the existence of ATP. Phase of the PTO is associated with the phosphorylation states of KaiC, with KaiA promoting the phosphorylation of KaiC, and KaiB promoting the de-phosphorylation. Here we studied the dynamics of the KaiA protein ofThermosynechococcus elongatus. The result will be helpful in understanding the function of KaiA and its binding with KaiC.

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