The theoretical investigation of HOMO, LUMO, thermophysical properties and QSAR study of some aromatic carboxylic acids using HyperChem programming A Kumer, MN Sarker, S Paul International Journal of Chemistry and Technology 3 (1), 26-37, 2019 | 80 | 2019 |
Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization Techniques MH Ali, MAK Azad, KA Khan, MO Rahman, U Chakma, A Kumer ACS omega 8 (31), 28133-28142, 2023 | 73 | 2023 |
The prediction and theoretical study for chemical reactivity, thermophysical and biological activity of morpholinium nitrate and nitrite ionic liquid crystals: A DFT study MJ Islam, A Kumer, MN Sarker, S Paul, A Zannat Advanced Journal of Chemistry-Section A 2 (4.), 316-326, 2019 | 70 | 2019 |
Investigating the binding affinity, molecular dynamics, and ADMET properties of 2, 3-dihydrobenzofuran derivatives as an inhibitor of fungi, bacteria, and virus protein A Nath, A Kumer, F Zaben, MW Khan Beni-Suef University Journal of Basic and Applied Sciences 10 (1), 36, 2021 | 68 | 2021 |
Synthesis, molecular docking, molecular dynamic, quantum calculation, and antibacterial activity of new Schiff base-metal complexes HE Hashem, A Nath, A Kumer Journal of Molecular Structure 1250, 131915, 2022 | 67 | 2022 |
The Theoretical Prediction of Thermophysical properties, HOMO, LUMO, QSAR and Biological Indics of Cannabinoids (CBD) and Tetrahhdrocannabinol (THC) by Computational Chemistry A Kumer, MN Sarker, S Paul, A Zannat Advanced Journal of Chemistry-Section A 2 (3.), 190-202, 2019 | 63 | 2019 |
The Simulating Study of HOMO, LUMO, thermo physical and Quantitative Structure of Activity Relationship (QSAR) of Some Anticancer Active Ionic Liquids" A Kumer, MN Sarkar, S Pual Eurasian Journal of Environmental Research 3 (3), 1-10, 2019 | 56 | 2019 |
Chemical descriptors, PASS, molecular docking, molecular dynamics and ADMET predictions of glucopyranoside derivatives as inhibitors to bacteria and fungi growth SMA Kawsar, A Kumer, NS Munia, MA Hosen, U Chakma, S Akash Organic Communications 15 (2), 203, 2022 | 51 | 2022 |
COMPUTATIONAL INVESTIGATION OF METHYL α-D-GLUCOPYRANOSIDE DERIVATIVES AS INHIBITOR AGAINST BACTERIA, FUNGI AND COVID-19 (SARS-2) SMA Kawsar, A Kumer Journal of the Chilean Chemical Society 66 (2), 5206-5214, 2021 | 45 | 2021 |
Synthesis, computational and molecular docking study of some 2, 3-dihydrobenzofuran and its derivatives A Nath, A Kumer, MW Khan Journal of Molecular Structure 1224, 129225, 2021 | 42 | 2021 |
The thermo physical, HOMO, LUMO, Vibrational spectroscopy and QSAR study of morphonium formate and acetate Ionic Liquid Salts using computational method A Kumer, MN Sarker, S Paul Turkish Computational and Theoretical Chemistry 3 (2), 59-68, 2019 | 39 | 2019 |
A Theoretical Study of Aniline and Nitrobenzene by Computational Overview A Kumer, MB Ahmed, AM Sharif, AM Abdullah Asian journal of physical and chemical science 4 (2), 1-12, 2017 | 36 | 2017 |
The computational screening of inhibitor for black fungus and white fungus by D-glucofuranose derivatives using in silico and SAR study. A Kumer, U Chakma, MM Matin, S Akash, A Chando, D Howlader Organic Communications 14 (4), 2021 | 35 | 2021 |
Synthesis, characterization, antimicrobial activity and computational exploration of ortho toludinium carboxylate ionic liquids A Kumer, MW Khan Journal of Molecular Structure 1245, 131087, 2021 | 34 | 2021 |
The effect of alkyl chain and electronegative atoms in anion on biological activity of anilinium carboxylate bioactive ionic liquids and computational approaches by DFT … A Kumer, MW Khan Heliyon 7 (7), 2021 | 33 | 2021 |
Modified D-Glucofuranoses as New Black Fungus Protease Inhibitors: Computational Screening, Docking, Dynamics, and QSAR Study MA Rahman, MM Matin, A Kumer, U Chakma, M Rahman Physical Chemistry Research 10 (2), 195-209, 2022 | 30 | 2022 |
Investigation of the New Inhibitors by Sulfadiazine and Modified Derivatives of α-D-glucopyranoside for White Spot Syndrome Virus Disease of Shrimp by In Silico: Quantum … A Kumer, U Chakma, MM Rana, A Chandro, S Akash, MM Elseehy, ... Molecules 27 (12), 3694, 2022 | 30 | 2022 |
MODIFIED D-GLUCOFURANOSE COMPUTATIONALLY SCREENING FOR INHIBITOR OF BREAST CANCER AND TRIPLE BREAST CANCER: CHEMICAL DESCRIPTOR, MOLECULAR DOCKING, MOLECULAR DYNAMICS AND QSAR A Kumer, U Chakma, A Chandro, D Howlader, S Akash, ME Kobir, ... Journal of the Chilean Chemical Society 67 (3), 5623-5635, 2022 | 28 | 2022 |
The prediction of thermo physical, vibrational spectroscopy, chemical reactivity, biological properties of morpholinium borate, phosphate, chloride and bromide Ionic Liquid: A … A Kumer, S Paul, MN Sarker, MJ Islam International Journal of New Chemistry 6 (4), 236-253, 2019 | 28 | 2019 |
Investigation of Structural, Electronic and Optical Properties of Na2InAgCl6, K2InAgCl6, and Rb2InAgCl6 Lead-Free Halide Double Perovskites Regarding with Cs2InAgCl … M Ali, MJ Islam, A Kumer, M Hossain, U Chakma, D Howlader, M Islam, ... Materials Research 24, 2021 | 27 | 2021 |