[PDF][PDF] Adsorption monitoring of triflouroaceticacid, pentadecyl ester and pentadecanoic acid, 14-methyl-, methyl ester on Fe (110): using DFT and molecular …
AM Ayuba, TA Nyijime, SA Minjibir, F Iorhuna - Eurasian Journal of Science …, 2024 - sid.ir
Archive of SID.ir Archive of SID.ir Page 1 2024, Volume 4, Issue 2 Eurasian Journal of Science
and Technology 105 Original Article Adsorption Monitoring of Triflouroaceticacid, Pentadecyl …
and Technology 105 Original Article Adsorption Monitoring of Triflouroaceticacid, Pentadecyl …
[PDF][PDF] Computational study on inhibitory potential of natural compounds against SARS-CoV-2 main protease
R Amirkhani, A Zarei, M Gholampour, H Tavakoli… - Chem. Methodol., 2024 - sid.ir
Over the recent decades, the health of human society has been threatened by various viral
diseases such as SARS-CoV-1, influenza, H1N1, and Ebola. The emergence of COVID-19 …
diseases such as SARS-CoV-1, influenza, H1N1, and Ebola. The emergence of COVID-19 …
3D-QSAR, ADMET, and molecular docking studies of aztreonam analogs as E. colis inhibitors
Background: The development of multidrug resistant strains of extended-spectrum β-
lactamase-producing Escherichia coli has become a global problem; therefore, the …
lactamase-producing Escherichia coli has become a global problem; therefore, the …
DFT studies on structure, electronics, bonding nature, NBO analysis, thermodynamic properties, molecular docking, and MM-GBSA evaluation of 4-methyl-3-[2-(4 …
A calculation analysis on the molecular structure and energy of 4-methyl-3-[2-(4-nitrophenyl)-
1, 3-dioxo-2, 3-dihydro-1 H-isoindole-5-amido] benzoic acid (COD30) is carried out with the …
1, 3-dioxo-2, 3-dihydro-1 H-isoindole-5-amido] benzoic acid (COD30) is carried out with the …
[HTML][HTML] Design of some potent non-toxic autoimmune disorder inhibitors based on 2D-QSAR, CoMFA, molecular docking, and molecular dynamics investigations
Current clinical research suggests that inhibitors of protein arginine deiminase 4 (PAD4),
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
major histocompatibility complex (MHC) class II HLA-DQ-ALPHA chain, and thyrotropin …
[PDF][PDF] Exploring the Inhibition Potential of Carbamodithionic acid on Fe (111) Surface: A Theoretical Study
AA Muhammad, NA Thomas… - … of Engineering in …, 2024 - researchgate.net
One of the most widely utilized and reasonably priced materials in the building and
construction industry today is mild steel. However, one unfavorable consequence of the …
construction industry today is mild steel. However, one unfavorable consequence of the …
Cheminformatic evaluation of the multi-protein binding potential of some diselenide derivatives: A plausible drug discovery approach for leishmaniasis
Over twelve million individuals worldwide suffer from leishmaniasis, and an additional billion
people are at risk in places where the disease is prevalent. This work was motivated by the …
people are at risk in places where the disease is prevalent. This work was motivated by the …
Drug-like screening, molecular docking, molecular dynamics simulations, and binding free energies on the interaction of pyrazole derivatives as inhibitors of …
Lysosomal membrane proteins (LAMPs) are a primary target for treating tumors because of
their essential role in the cancer life cycle. In this study, some computational approaches …
their essential role in the cancer life cycle. In this study, some computational approaches …
[PDF][PDF] Molecular Docking, Molecular Dynamics Simulation, and MM/GBSA Studies of (N-(4-Carbamoylphenyl)-8-cyclopropyl-7-(naphthalen-1-ylmethyl)-5-oxo-2, 3 …
EI Edache, A Uzairu, PA Mamza, GA Shallangwa… - 2023 - sid.ir
ABSTRACT Coronavirus disease 2019 (COVID-19) is a pandemic disease caused by the
SARS-coronavirus-2, which has a high rate of infection. Regardless of the advancements …
SARS-coronavirus-2, which has a high rate of infection. Regardless of the advancements …
[PDF][PDF] Results in Chemistry
Molecular motor can be defined as the collection of a separate number of molecular features
(that is, a supramolecular structure) which has been developed to carry out a function …
(that is, a supramolecular structure) which has been developed to carry out a function …