molecular dynamic simulation study Recently Published Documents

Transport Properties ◽

Molecular Dynamic ◽

Heat Transport ◽

Dynamic Simulation ◽

Simulation Study ◽

Interaction Potentials ◽

Heat Transport Properties ◽

Molecular dynamic simulation study of tribological mechanism of PI composites reinforced by CNTs with different orientations

Polymer Composites ◽

10.1002/pc.26476 ◽

2022 ◽

Author(s):

Mingkun Xu ◽

Qihua Wang ◽

Tingmei Wang ◽

Liming Tao ◽

Song Li

Keyword(s):

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Temperature and indenter radius effects on mechanical properties of copper during nanoindentation: a molecular dynamic simulation study

The European Physical Journal B ◽

10.1140/epjb/s10051-021-00253-1 ◽

2021 ◽

Vol 94 (12) ◽

Author(s):

Iwan Halim Sahputra

Keyword(s):

Mechanical Properties ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Evaluation of BLG ability for binding to 5-FU and Irinotecan simultaneously under acidic condition: A spectroscopic, molecular docking and molecular dynamic simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.117758 ◽

2021 ◽

Vol 344 ◽

pp. 117758

Author(s):

Unes Sahebi ◽

Hamid Gholami ◽

Behafarid Ghalandari ◽

Farideh Badalkhani-khamseh ◽

Abdolrahim Nikzamir ◽

...

Keyword(s):

Molecular Docking ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Acidic Condition ◽

Molecular Dynamic Simulation Study on Soy Protein As Drug Delivery Vehicle

10.1115/1.0004245v ◽

2021 ◽

Author(s):

Zhuoyuan Zheng ◽

Akash Singh ◽

Yumeng Li

Keyword(s):

Drug Delivery ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Soy Protein ◽

Delivery Vehicle ◽

Drug Delivery Vehicle ◽

The impact of H2O on the combustion of n-pentane: A reactive molecular dynamic simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.117036 ◽

2021 ◽

pp. 117036

Author(s):

Erguang Huo ◽

Liyong Xin ◽

Shukun Wang ◽

Qibin Li ◽

Chao Liu

Keyword(s):

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Molecular Dynamic Simulation Study ◽

The Impact

In silico investigation on the inhibitory effect of fungal secondary metabolites on RNA dependent RNA polymerase of SARS-CoV-II: A docking and molecular dynamic simulation study

Computers in Biology and Medicine ◽

10.1016/j.compbiomed.2021.104613 ◽

2021 ◽

pp. 104613

Author(s):

Kosar Sadat Ebrahimi ◽

Mohabbat Ansari ◽

Mahdieh Sadat Hosseyni Moghaddam ◽

Zohre Ebrahimi ◽

Zohre salehi ◽

...

Keyword(s):

Secondary Metabolites ◽

Rna Polymerase ◽

Dynamic Simulation ◽

Simulation Study ◽

In Silico ◽

Inhibitory Effect ◽

Rna Dependent Rna Polymerase ◽

Molecular Dynamic Simulation Study ◽

Fungal Secondary Metabolites

A comparative molecular dynamic simulation study on potent ligands targeting mTOR/FRB domain for breast cancer therapy

Biotechnology and Applied Biochemistry ◽

10.1002/bab.2206 ◽

2021 ◽

Author(s):

Varruchi Sharma ◽

Anil Panwar ◽

Anupam Sharma ◽

Vasu Punj ◽

Reena V. Saini ◽

...

Keyword(s):

Breast Cancer ◽

Cancer Therapy ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Breast Cancer Therapy ◽

Molecular dynamic simulation study on formation of water channel in oil film detachment process controlled by surfactant polarity

Chemical Physics Letters ◽

10.1016/j.cplett.2021.138502 ◽

2021 ◽

Vol 771 ◽

pp. 138502

Author(s):

Lixia Zhou ◽

Youguo Yan ◽

Shengchao Li ◽

Kaixuan Wang

Keyword(s):

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Water Channel ◽

Oil Film ◽

Black tea bioactives as inhibitors of multiple targets of SARS-CoV-2 (3CLpro, PLpro and RdRp): a virtual screening and molecular dynamic simulation study

Journal of Biomolecular Structure and Dynamics ◽

10.1080/07391102.2021.1897679 ◽

2021 ◽

pp. 1-24

Author(s):

Madhurjya Gogoi ◽

Meghali Borkotoky ◽

Sangeeta Borchetia ◽

Pritom Chowdhury ◽

Saurov Mahanta ◽

...

Keyword(s):

Virtual Screening ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Black Tea ◽

Multiple Targets ◽