Flexibility modulates the catalytic activity of a thermostable enzyme: key information from optical spectroscopy and molecular dynamics simulation

Optical Spectroscopy ◽

Thermostable Enzyme ◽

Dynamics Simulation ◽

Temperature Dependent ◽

Loop Regions ◽

Beta Glucosidase

The temperature dependent catalytic activity of almond beta-glucosidase controlled by concerted motions of loop regions (LRs).

Temperature-dependent deformation in silver-particle-covered copper nanowires by molecular dynamics simulation

Journal of Materiomics ◽

10.1016/j.jmat.2021.05.005 ◽

2021 ◽

Author(s):

Pengtao Li ◽

Y.Q. Yang ◽

Vladimir Koval ◽

Xian Luo ◽

Jianxin Chen ◽

...

Keyword(s):

Molecular Dynamics ◽

Silver Particle ◽

Dynamics Simulation ◽

Copper Nanowires ◽

Temperature-dependent distribution of silver nano particles on ferroelectric substrate: Molecular dynamics simulation

Ferroelectrics ◽

10.1080/00150193.2018.1497412 ◽

2018 ◽

Vol 531 (1) ◽

pp. 62-71

Author(s):

Yue Liu ◽

Jiaxi Tang ◽

Jiuyang Li ◽

Kai Fu ◽

Haonan Zhu

Keyword(s):

Molecular Dynamics ◽

Nano Particles ◽

Dynamics Simulation ◽

Temperature-Dependent Density and Viscosity of the Ionic Liquids 1-Alkyl-3-methylimidazolium Iodides: Experiment and Molecular Dynamics Simulation

Journal of Chemical & Engineering Data ◽

10.1021/je901092b ◽

2010 ◽

Vol 55 (9) ◽

pp. 3084-3088 ◽

Cited By ~ 97

Author(s):

Mohammad Hadi Ghatee ◽

Morteza Zare ◽

Fatemeh Moosavi ◽

Amin Reza Zolghadr

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Dynamics Simulation ◽

Temperature Dependent ◽

Dependent Density

Temperature-dependent phase transformation of ice-1h under ultrafast uniaxial compression: A molecular dynamics simulation

Computational Materials Science ◽

10.1016/j.commatsci.2019.03.013 ◽

2019 ◽

Vol 162 ◽

pp. 340-348 ◽

Cited By ~ 2

Author(s):

Qiuyun Yin ◽

Lingling Hu ◽

Xianqian Wu ◽

Kailu Xiao ◽

Chenguang Huang

Keyword(s):

Molecular Dynamics ◽

Phase Transformation ◽

Uniaxial Compression ◽

Dynamics Simulation ◽

Molecular Dynamics Simulation Studies of the Temperature-Dependent Structure and Dynamics of Isopropanol–Water Liquid Mixtures at Low Alcohol Content

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.9b05631 ◽

2019 ◽

Vol 123 (35) ◽

pp. 7599-7610 ◽

Cited By ~ 4

Author(s):

Szilvia Pothoczki ◽

László Pusztai ◽

Imre Bakó

Keyword(s):

Molecular Dynamics ◽

Liquid Mixtures ◽

Dynamics Simulation ◽

Simulation Studies ◽

Temperature Dependent ◽

Alcohol Content ◽

Structure And Dynamics ◽

Low Alcohol

Molecular dynamics simulation of the temperature-dependent ionic conductivity in sodium(I)-.beta.''-alumina

Chemistry of Materials ◽

10.1021/cm00019a014 ◽

1992 ◽

Vol 4 (1) ◽

pp. 55-62 ◽

Cited By ~ 4

Author(s):

Cathy Lane Rohrer ◽

Gregory C. Farrington

Keyword(s):

Molecular Dynamics ◽

Ionic Conductivity ◽

Dynamics Simulation ◽

Temperature Dependent ◽

Beta Alumina

Molecular Dynamics Simulation of Temperature-Dependent Tensile Fracture of Nanoscale Polycrystal. An Analysis of Temperature Dependence.

TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series A ◽

10.1299/kikaia.61.1813 ◽

1995 ◽

Vol 61 (588) ◽

pp. 1813-1818 ◽

Cited By ~ 2

Author(s):

Hideyuki Inoue ◽

Yasuhiro Akahoshi ◽

Shoji Harada ◽

Hidetake Chobara

Keyword(s):

Molecular Dynamics ◽

Temperature Dependence ◽

Dynamics Simulation ◽

Tensile Fracture ◽

Characterization of the Interaction between Gallic Acid and Lysozyme by Molecular Dynamics Simulation and Optical Spectroscopy

International Journal of Molecular Sciences ◽

10.3390/ijms160714786 ◽

2015 ◽

Vol 16 (12) ◽

pp. 14786-14807 ◽

Cited By ~ 14

Author(s):

Minzhong Zhan ◽

Ming Guo ◽

Yanke Jiang ◽

Xiaomeng Wang

Keyword(s):

Molecular Dynamics ◽

Gallic Acid ◽

Optical Spectroscopy ◽

Dynamics Simulation

Molecular dynamics simulation of a carboxy murine neuroglobin mutated on the proximal side: heme displacement and concomitant rearrangement in loop regions

Journal of Molecular Modeling ◽

10.1007/s00894-009-0581-3 ◽

2009 ◽

Vol 16 (4) ◽

pp. 759-770 ◽

Cited By ~ 6

Author(s):

Jia Xu ◽

Guowei Yin ◽

Feijuan Huang ◽

Baohuai Wang ◽

Weihong Du

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Proximal Side ◽

Loop Regions

Temperature-dependent elastic properties of single-walled carbon nanotubes: Prediction from molecular dynamics simulation

Applied Physics Letters ◽

10.1063/1.2336622 ◽

2006 ◽

Vol 89 (8) ◽

pp. 081904 ◽

Cited By ~ 80

Author(s):

Chen-Li Zhang ◽

Hui-Shen Shen

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Elastic Properties ◽

Single Walled Carbon Nanotubes ◽

Dynamics Simulation ◽

Temperature Dependent ◽

Single Walled Carbon ◽

Walled Carbon Nanotubes