molecular dynamic simulation study Latest Research Papers

Mechanical and heat transport properties of Ti1−xZrxNiSn half-Heuslers: A molecular dynamic simulation study using ab initio-based interaction potentials

Computational Materials Science ◽

10.1016/j.commatsci.2021.111147 ◽

2022 ◽

Vol 204 ◽

pp. 111147

Author(s):

Joaquin Miranda ◽

Thomas Gruhn

Keyword(s):

Ab Initio ◽

Molecular Dynamic Simulation ◽

Transport Properties ◽

Molecular Dynamic ◽

Heat Transport ◽

Dynamic Simulation ◽

Simulation Study ◽

Interaction Potentials ◽

Heat Transport Properties ◽

Molecular Dynamic Simulation Study

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 Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Molecular Dynamic 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 Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Molecular Dynamic 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 Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Acidic Condition ◽

Molecular Dynamic Simulation Study

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 Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Soy Protein ◽

Delivery Vehicle ◽

Drug Delivery Vehicle ◽

Molecular Dynamic Simulation Study

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 Simulation ◽

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 ◽

Molecular Dynamic Simulation ◽

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 Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Breast Cancer Therapy ◽

Molecular Dynamic Simulation Study

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 Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Water Channel ◽

Oil Film ◽

Molecular Dynamic Simulation Study

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 Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Black Tea ◽

Multiple Targets ◽

Molecular Dynamic Simulation Study

molecular dynamic simulation study
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TOTAL DOCUMENTS

H-INDEX

Mechanical and heat transport properties of Ti1−xZrxNiSn half-Heuslers: A molecular dynamic simulation study using ab initio-based interaction potentials

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

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

Molecular Dynamic Simulation Study on Soy Protein As Drug Delivery Vehicle

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

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

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

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

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

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molecular dynamic simulation studyRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Mechanical and heat transport properties of Ti1−xZrxNiSn half-Heuslers: A molecular dynamic simulation study using ab initio-based interaction potentials

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

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

Molecular Dynamic Simulation Study on Soy Protein As Drug Delivery Vehicle

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

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

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

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

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

molecular dynamic simulation study
Recently Published Documents