日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

First-principles investigations on the conducting photocatalytic behaviour in SrZr(x)Ge(1-x)O(3) (x = 1, 0.96, 0.92 and 0.88)

基于第一性原理对 SrZr(x)Ge(1-x)O(3) (x = 1, 0.96, 0.92 和 0.88) 的导电光催化行为进行研究

Kumer, Ajoy; Hoque, Khondaker Afrina; Chakma, Unesco; Dhara, Bikram; Alqahtani, Taha; Al Shmrany, Humood; Alqahtani, Ali; Mundu, Mustafa M; Uti, Daniel E

Analysis of Crystallographic Structures and Properties of Silver Nanoparticles Synthesized Using PKL Extract and Nanoscale Characterization Techniques

利用PKL提取物和纳米尺度表征技术分析合成的银纳米粒子的晶体结构和性质

Ali, Md Hazrat; Azad, Md Abul Kalam; Khan, K A; Rahman, Md Obaidur; Chakma, Unesco; Kumer, Ajoy

Synthesis, characterization, antibacterial activity of thiosemicarbazones derivatives and their computational approaches: Quantum calculation, molecular docking, molecular dynamic, ADMET, QSAR

硫代氨基脲衍生物的合成、表征、抗菌活性及其计算方法:量子计算、分子对接、分子动力学、ADMET、QSAR

Alam, Mahbub; Abser, Mohammed Nurul; Kumer, Ajoy; Bhuiyan, Md Mosharef Hossain; Akter, Parul; Hossain, Md Emdad; Chakma, Unesco

A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives

基于分子对接和分子动力学模拟的药物设计策略应用于黄芩素衍生物对三阴性乳腺癌抑制剂的开发

Akash, Shopnil; Aovi, Farjana Islam; Azad, Md A K; Kumer, Ajoy; Chakma, Unesco; Islam, Md Rezaul; Mukerjee, Nobendu; Rahman, Md Mominur; Bayıl, Imren; Rashid, Summya; Sharma, Rohit

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 Calculations, Molecular Docking, ADMET and Molecular Dynamics Study

利用计算机模拟方法研究磺胺嘧啶及其α-D-吡喃葡萄糖苷衍生物对虾白斑综合征病毒病的新型抑制剂:量子计算、分子对接、ADMET和分子动力学研究

Kumer, Ajoy; Chakma, Unesco; Rana, Md Masud; Chandro, Akhel; Akash, Shopnil; Elseehy, Mona M; Albogami, Sarah; El-Shehawi, Ahmed M

Developing the amazing photocatalyst of ZnAg(2)GeSe(4), ZnAg(2)Ge(0.93)Fe(0.07)Se(4) and ZnAg(2)Ge(0.86)Fe(0.14)Se(4) through the computational explorations by four DFT functionals

通过四种DFT泛函的计算探索,开发出性能优异的ZnAg(2)GeSe(4)、ZnAg(2)Ge(0.93)Fe(0.07)Se(4)和ZnAg(2)Ge(0.86)Fe(0.14)Se(4)光催化剂。

Kumer, Ajoy; Chakma, Unesco