Science and Engineering In Silico
DOI:
https://doi.org/10.22034/AJSE2011001Keywords:
Science, Engineering, In silico, ComputationalAbstract
Improved high-performance computing facilities in addition to improvements of theoretical aspects have led both of science and engineering to be investigated in silico. Within this new environment besides already available in vitro and in vivo media, the mechanisms of designing prior to perform any experiments have been tremendously generated.
References
Geris L, Lambrechts T, Carlier A, Papantoniou I. The future is digital: in silico tissue engineering. Cur. Opin. Biomed. Eng. 2018;6:92-98.
Kazmi SR, Jun R, Yu MS, Jung C, Na D. In silico approaches and tools for the prediction of drug metabolism and fate: A review. Comput. Biol. Med. 2019;106:54-64.
McGann J. The future is digital. J. Victor. Cult. 2008;13:80-88.
Barbosa GF, Shiki SB, Savazzi JO. Digitalization of a standard robot arm toward 4th industrial revolution. Int. J. Adv. Manufact. Technol. 2019;105:2707-2720.
Mirzaei M. Lab-in-Silico. Adv. J. Chem. B 2020;2:1-2.
Samadi Z, Mirzaei M, Hadipour NL, Khorami SA. Density functional calculations of oxygen, nitrogen and hydrogen electric field gradient and chemical shielding tensors to study hydrogen bonding properties of peptide group (OC–NH) in crystalline acetamide. J. Mol. Graph. Model. 2008;26:977-981.
Behzadi H, Hadipour NL, Mirzaei M. A density functional study of 17O, 14N and 2H electric field gradient tensors in the real crystalline structure of ?-glycine. Biophys. Chem. 2007;125:179-183.
Mirzaei M. Effects of carbon nanotubes on properties of the fluorouracil anticancer drug: DFT studies of a CNT-fluorouracil compound. Int. J. Nano Dimen. 2013;3:175-179.
Mirzaei M, Yousefi M. Computational studies of the purine-functionalized graphene sheets. Superlat. Microstruct. 2012;52:612-617.
Mirzaei M, Mirzaei M. The C-doped AlP nanotubes: A computational study. Solid State Sci. 2011;13:244-250.
Mirzaei M. Density functional study of defects in boron nitride nanotubes. Z. Phys. Chem. 2009;223:815-823.
Mirzaei M, Mirzaei M. The B-doped SiC nanotubes: A computational study. J. Mol. Struct. THEOCHEM. 2010;953:134-138.
Mirzaei M, Hadipour NL, Seif A, Giahi M. Density functional study of zigzag BN nanotubes with equivalent ends. Physica E 2008;40:3060-3063.
Mirzaei M, Meskinfam M. Computational studies of effects of tubular lengths on the NMR properties of pristine and carbon decorated boron phosphide nanotubes. Solid State Sci. 2011;13:1926-1930.
Downloads
Published
How to Cite
Issue
Section
License
Copyright (c) 2020 Advanced Journal of Science and Engineering
This work is licensed under a Creative Commons Attribution 4.0 International License.
This work is licensed under a Creative Commons Attribution 4.0 International License (CC-BY 4.0).
Advanced Journal of Science and Engineering (2020-2023) is licensed under a