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Screening and potent applicability analysis of commonly used pesticides against Schistocerca gregaria and Locusta migratoria: an integrative computational approach 期刊论文
发表期刊: INTERNATIONAL JOURNAL OF TROPICAL INSECT SCIENCE. 出版年: 2022
作者:  Banik, Anik;  Mondal, Md Fuad;  Khan, Md Mostafigur Rahman;  Ahmed, Sheikh Rashel;  Hasan, Md Mehedi
收藏  |  浏览/下载：60/0  |  提交时间：2022/03/17
Desert locusts  GIS mapping  Molecular docking  Microbial volatile compound  Molecular dynamics  
Understanding aquaporin regulation defining silicon uptake and role in arsenic, antimony and germanium stress in pigeonpea (Cajanus cajan)* 期刊论文
发表期刊: ENVIRONMENTAL POLLUTION. 出版年: 2022, 卷号: 294
作者:  Mandlik, Rushil;  Singla, Pankaj;  Kumawat, Surbhi;  Khatri, Praveen;  Ansari, Waquar;  Singh, Anuradha;  Sharma, Yogesh;  Singh, Archana;  Solanke, Amol;  Nadaf, Altafhusain;  Sonah, Humira;  Deshmukh, Rupesh
收藏  |  浏览/下载：14/0  |  提交时间：2024/09/20
Aquaporin  Molecular dynamics simulations  Pigeonpea  Silicon localization  Silicon uptake  Transcriptome  
Criterion of molecular size to evaluate the bioaccumulation potential of chemicals in fish 期刊论文
发表期刊: JOURNAL OF PESTICIDE SCIENCE. 出版年: 2022, 卷号: 47, 期号: 1, 页码: 8-16
作者:  Miyata, Chiyoko;  Matoba, Yoshihide;  Mukumoto, Makiko;  Nakagawa, Yoshiaki;  Miyagawa, Hisashi
收藏  |  浏览/下载：6/0  |  提交时间：2024/09/20
molecular size  quantum chemical calculation  molecular dynamics simulation  bioaccumulation  bioconcentration  
Molecular Dynamics Study on the Adsorption and Modification Mechanism of Polymeric Sand-Fixing Agent 期刊论文
发表期刊: POLYMERS. 出版年: 2022, 卷号: 14, 期号: 16
作者:  Huang, Wei;  Geng, Xueyu;  Li, Jing;  Zhou, Cuiying;  Liu, Zhen
收藏  |  浏览/下载：13/0  |  提交时间：2024/09/20
molecular dynamics  polymeric sand-fixing agent  adsorption mechanism  sandy soil improvement  microscopic mechanism  
Geological storage of CO2-N-2-O-2 mixtures produced by membrane-based direct air capture (DAC) 期刊论文
发表期刊: GREENHOUSE GASES-SCIENCE AND TECHNOLOGY. 出版年: 2021
作者:  Tsuji, Takeshi;  Sorai, Masao;  Shiga, Masashige;  Fujikawa, Shigenori;  Kunitake, Toyoki
收藏  |  浏览/下载：17/0  |  提交时间：2021/07/30
low-purity CO2 storage  membranes-based DAC  molecular dynamics simulation  density of the mixture  
Ab-Initio Molecular Dynamics Simulation of Condensed-Phase Reactivity: The Electrolysis of Ammonia and Ethanimine in Aquatic Carbon Dioxide Solutions 期刊论文
发表期刊: ENERGIES. 出版年: 2021, 卷号: 14, 期号: 20
作者:  Gordiy, Igor;  Steinbach, Lukas;  Frank, Irmgard
收藏  |  浏览/下载：13/0  |  提交时间：2021/11/29
ab initio molecular dynamics  reaction mechanisms  electrolysis  wastewater  power-to-fuel  
Markov State Models to Study the Functional Dynamics of Proteins in the Wake of Machine Learning 期刊论文
发表期刊: JACS AU. 出版年: 2021, 卷号: 1, 期号: 9, 页码: 1330-1341
作者:  Konovalov, Kirill A.;  Unarta, Ilona Christy;  Cao, Siqin;  Goonetilleke, Eshani C.;  Huang, Xuhui
收藏  |  浏览/下载：33/0  |  提交时间：2021/11/19
Markov state models  biomolecular function  conformational change  molecular dynamics simulations  machine learning  non-Markovian dynamics  
Ultrafast self-propelled water droplet transport on a graphene-covered nanocone 期刊论文
发表期刊: JOURNAL OF PHYSICS D-APPLIED PHYSICS. 出版年: 2021, 卷号: 54, 期号: 50
作者:  Zhang, Fujian;  Liu, Zhen;  Gao, Xiang;  Xu, Jiang;  Zhang, Zhongqiang;  Cheng, Guanggui;  Ding, Jianning
收藏  |  浏览/下载：15/0  |  提交时间：2021/11/19
droplet transport  self-driving  nanocone  monolayer graphene  molecular dynamics  
Solution-derived monolithic thin films with low adhesion surface 期刊论文
发表期刊: SOLAR ENERGY MATERIALS AND SOLAR CELLS. 出版年: 2020, 卷号: 206
作者:  Park, Jaehyeung;  Sharma, Jaswinder;  Goswami, Monojoy;  Voylov, Dmitry;  Jang, Gyoung Gug;  Lassiter, Matthew G.;  Marquez-Rossy, Andres;  Polizos, Georgios
收藏  |  浏览/下载：27/0  |  提交时间：2020/05/22
Anti-soiling  Nanostructured thin film  Adhesion force  Solar specular reflectance  Molecular dynamics  
Conformational analysis of a cyclic AKH neuropeptide analog that elicits selective activity on locust versus honeybee receptor 期刊论文
发表期刊: INSECT BIOCHEMISTRY AND MOLECULAR BIOLOGY. 出版年: 2020, 卷号: 125
作者:  Abdulganiyyu, Ibrahim A.;  Kaczmarek, Krzysztof;  Zabrocki, Janusz;  Nachman, Ronald J.;  Marchal, Elisabeth;  Schellens, Sam;  Verlinden, Heleen;  Vanden Broeck, Jozef;  Marco, Heather;  Jackson, Graham E.
收藏  |  浏览/下载：17/0  |  提交时间：2021/01/07
Conformational restriction  Agonist  Insect control  NMR  Molecular dynamics