3-D modeling and molecular dynamics simulation of interleukin-22 from the So-iny mullet, Liza haematocheila

por Qi,Zhitao, Shi,Rongwei, Li,Suyang, Zang,Xiayan, Wang,Zisheng
Publicado 2013

ABOUT THE DIFFERENCE IN THE QUADRUPOLE SPLITTING OF WATER BETWEEN CATIONIC AND ANIONIC NEMATIC LYOTROPIC LIQUID CRYSTALS: 2H-NMR AND MOLECULAR DYNAMICS STUDY

por Ahumada,H, Montecinos,R, Martinez,R, Araya-Maturana,R, Weiss-López,B
Publicado 2004

Layer structure formation of mesogenic liquid crystalline epoxy resin during curing reactions: A reactive coarse-grained molecular dynamics study

por Taisuke SUGII, Hiroshi ITO, Shigenori MATSUMOTO, Shingo TANAKA, Hiroshi MORIYA, Naoki MARUYAMA, Minoru HOSHINO, Naotaka TANAKA, Yoshitaka TAKEZAWA
Publicado 2021

Atomistic Simulations on Metal Rod Penetrating Thin Target at Nanoscale Caused by High-Speed Collision

por Yong-Chao Wu, Jin-Ming Liu, Wei Xie, Qing Yin, Jian-Li Shao
Publicado 2021

High friction coefficient of vertically aligned carbon-nanotubes: A molecular dynamics simulation

por O. Farzadian, C. Spitas, K.V. Kostas, F. Yousefi
Publicado 2021

Pharmakinetics studies, molecular docking and discovery of anti- proliferative agents and its targeting EGFR inhibitors

por Palanisamy Prakash, G. Archana, Ekambaram Gayathiri, Vimalraj Mani, Rengarajan Manivasagaperumal, Balamurugan Vinoth, Karlapudi Abraham Peele, Kuppusamy Selvam, Anand Thirupathi, Hissah Abdulrahman Alodaini, Munirah Abdullah Al-Dosary, Ashraf Atef Hatamleh, Soon Woong Chang, Balasubramani Ravindran
Publicado 2022

Design of New Quinazoline Derivative as EGFR (Epidermal Growth Factor Receptor) Inhibitor through Molecular Docking and Dynamics Simulation

por Herlina Rasyid, Bambang Purwono, Harno Dwi Pranowo
Publicado 2020

CoMFA, Molecular Docking and Molecular Dynamics Studies on Cycloguanil Analogues as Potent Antimalarial Agents

por Isman Kurniawan, Muhammad Salman Fareza, Ponco Iswanto
Publicado 2020

Microscopic and Macroscopic Fragmentation Characteristics under Hypervelocity Impact Based on MD and SPH Method

por Wei-Dong Wu, Jin-Ming Liu, Wei Xie, Yan Xing, Jian-Li Shao
Publicado 2021

Stability, Hydrogen Bond Occupancy Analysis and Binding Free Energy Calculation from Flavonol Docked in DAPK1 Active Site Using Molecular Dynamic Simulation Approaches

por Adi Tiara Zikri, Harno Dwi Pranowo, Winarto Haryadi
Publicado 2020

Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior

por H. Santos Silva, A. Alfarra, G. Vallverdu, D. Bégué, B. Bouyssiere, I. Baraille
Publicado 2019

In Vitro and In Silico Studies of Quercetin and Daidzin as Selective Anticancer Agents

por Muhammad Sulaiman Zubair, Syariful Anam, Saipul Maulana, Muhammad Arba
Publicado 2021

Channels with Helical Modulation Display Stereospecific Sensitivity for Chiral Superstructures

por Renáta Rusková, Dušan Račko
Publicado 2021

A Computational Modeling Approach Predicts Interaction of the Antifungal Protein AFP from <italic toggle="yes">Aspergillus giganteus</italic> with Fungal Membranes via Its γ-Core M...

por Tillmann Utesch, Alejandra de Miguel Catalina, Caspar Schattenberg, Norman Paege, Peter Schmieder, Eberhard Krause, Yinglong Miao, J. Andrew McCammon, Vera Meyer, Sascha Jung, Maria Andrea Mroginski
Publicado 2018

A Molecular Dynamics Simulation Study: The Inkjet Printing of Graphene Inks on Polyimide Substrates

por Lingjun Wu, Wei Wang, Haitao Zhao, Libo Gao, Libo Gao, Jibao Lu, Rong Sun
Publicado 2021

Phytomedicine in Disease Management: In-Silico Analysis of the Binding Affinity of Artesunate and Azadirachtin for Malaria Treatment

por Michael P. Okoh, Michael P. Okoh, Rajeev K. Singla, Chijioke Madu, Opeyemi Soremekun, Opeyemi Soremekun, Johnson Adejoh, Lukman A. Alli, Bairong Shen
Publicado 2021

Rational design of novel, fluorescent, tagged glutamic acid dendrimers with different terminal groups and in silico analysis of their properties

por Martinho N, Silva LC, Florindo HF, Brocchini S, Zloh M, Barata TS
Publicado 2017

Graphene-Based Nanoparticles as Potential Treatment Options for Parkinson&rsquo;s Disease: A Molecular Dynamics Study

por Alimohammadi E, Khedri M, Miri Jahromi A, Maleki R, Rezaian M
Publicado 2020

Improvement of the Force Field for <i>β</i>-<span style="font-variant: small-caps">d</span>-Glucose with Machine Learning

por Makoto Ikejo, Hirofumi Watanabe, Kohei Shimamura, Shigenori Tanaka
Publicado 2021

Revealing Topological Barriers against Knot Untying in Thermal and Mechanical Protein Unfolding by Molecular Dynamics Simulations

por Yan Xu, Runshan Kang, Luyao Ren, Lin Yang, Tongtao Yue
Publicado 2021