Virtual screening and molecular docking of Indonesian phytoconstituents as potential inhibitors of peroxisome proliferator-activated receptor gamma in polycystic ovary syndrome by Tunjungseto Arif, Iffatunnisa Fakhriyah, Pratiwi Intan Winta, Alif Azzam Muhyiddin Afrizal, Ahsan Fadhil, Santoso Budi

“…Through in silico screening and molecular docking, Quercitol exhibited superior binding with the protein target compared to the control ligands and metformin. …”
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A Coarse-Grained Molecular Dynamics Simulation Using NAMD Package to Reveal Aggregation Profile of Phospholipids Self-Assembly in Water by Dwi Hudiyanti, Muhammad Radifar, Tri Joko Raharjo, Narsito Narsito, Sri Noegrohati

“…The energy profile of self-assembly process of DLPE, DLPS, DOPE, DOPS, DLiPE, and DLiPS in water was investigated by a coarse-grained molecular dynamics simulation using NAMD package. The self-assembly process was initiated from random configurations. …”
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Molecular Epidemiology of Escherichia coli Resistant to Carbapenems, Fluoroquinolones, and Aminoglycosides Isolated from One of the Largest Hospitals in Vietnam in 2014–2019 by Tohru Miyoshi-Akiyama, Do Van Thanh, Truong Thai Phuong, Nguyen Quang Huy, Pham Thi Phuong Thuy, Teruo Kirikae, Pham Hong Nhung, Norio Ohmagari

“…This study was designed to clarify the molecular epidemiology of Escherichia coli isolates resistant to carbapenems, fluoroquinolones, and aminoglycosides isolated from patients admitted to one of the largest hospitals in Vietnam in 2014–2019 based on both whole-genome sequencing (WGS) and phenotypic data. …”
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Author Correction: Layer-by-layer phase transformation in Ti3O5 revealed by machine-learning molecular dynamics simulations by Mingfeng Liu, Jiantao Wang, Junwei Hu, Peitao Liu, Haiyang Niu, Xuexi Yan, Jiangxu Li, Haile Yan, Bo Yang, Yan Sun, Chunlin Chen, Georg Kresse, Liang Zuo, Xing-Qiu Chen

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Molecular xenomonitoring of Schistosoma mansoni infections in Biomphalaria choanomphala at Lake Victoria, East Africa: Assessing roles of abiotic and biotic factors by Peter S. Andrus, Claire J. Standley, J. Russell Stothard, Christopher M. Wade

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Prevalence, Antibiotic Susceptibility, and Molecular Typing of Staphylococcus aureus and Methicillin-resistant S. aureus (MRSA) among Domestic Animals in Dharan, Nepal by Rubina Katuwal, Manita Shyaula, Bigyan Shrestha, Saroj Babu Koirala, Hemanta Khanal

“…Antimicrobial susceptibility testing unveiled widespread resistance to commonly used antibiotics, with notable exceptions such as vancomycin. Molecular analysis using the spa gene as a marker for strain typing detected its presence in a small subset of MRSA isolates, suggesting the possibility of human colonization and further underscoring the interconnectedness of animal and human health. …”
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Clinical Symptoms and Types of Samples Are Critical Factors for the Molecular Diagnosis of Symptomatic COVID-19 Patients: A Systematic Literature Review by Milad Zandi, Abbas Farahani, Armin Zakeri, Sara Akhavan Rezayat, Ramin Mohammadi, Umashankar Das, Jonathan R. Dimmock, Shervin Afzali, Mohammadvala Ashtar Nakhaei, Alireza Doroudi, Yousef Erfani, Saber Soltani

“…Various parameters including clinical manifestations and molecular evaluation can affect the accuracy of diagnosis. …”
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Evaluation of hesperidin as a potential larvicide against Culex pipiens with computational prediction of its mode of action via molecular docking by Abdullah Haikal, Mahmoud Kamal, Eslam M. Hosni, Yhiya Amen

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Evaluation of Biophysical Interaction between Newly Synthesized Pyrazoline Pyridazine Derivative and Bovine Serum Albumin by Spectroscopic and Molecular Docking Studies by Abdulrahman A. Al-Mehizia, Ahmed H. Bakheit, Seema Zargar, Mashooq A. Bhat, Majid Mohammed Asmari, Tanveer A. Wani

“…Various spectroscopic techniques along with molecular docking analysis were utilized to understand the mechanism of interaction. …”
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Current Molecular Targeted Therapy in Advanced Gastric Cancer: A Comprehensive Review of Therapeutic Mechanism, Clinical Trials, and Practical Application by Kaichun Li, Jin Li

“…Compared to best supportive care, chemotherapy can improve quality of life and prolong survival time, but the overall survival is often short. Due to the molecular study of gastric cancer, new molecular targeted drugs have entered the clinical use. …”
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Chronic fetal hypoxia and antenatal Vitamin C exposure differentially regulate molecular signalling in the lung of female lambs in early adulthood by Erin V. McGillick, Erin V. McGillick, Sandra Orgeig, Beth J. Allison, Kirsty L. Brain, Melanie R. Bertossa, Stacey L. Holman, Ashley S. Meakin, Michael D. Wiese, Youguo Niu, Nozomi Itani, Katie L. Skeffington, Christian Beck, Kimberly J. Botting-Lawford, Janna L. Morrison, Janna L. Morrison, Dino A. Giussani

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Molecularly Imprinted Nanomicrospheres as Matrix Solid-Phase Dispersant Combined with Gas Chromatography for Determination of Four Phosphorothioate Pesticides in Carrot and Yacon by Mengchun Zhou, Nana Hu, Shaohua Shu, Mo Wang

“…New molecularly imprinted polymer nanomicrospheres were synthesized by using typical structural analogue tolclofos-methyl as a dummy template via surface grafting polymerization on nanosilica. …”
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Identification and Validation of B‑Cell Epitopes on the VP1 Protein of Parvovirus B19 through Molecular Docking and Dynamics Simulation by Reuben Kuruvilla Thomas, Ambritha Balasundaram, Gracy Fathima, Sathish Sankar, Dicky John Davis G, Mageshbabu Ramamoorthy, Nithiyanandan Saravanan, Swati Kumari, Sudhabharathi Reju, Ramya Barani, Sribal Selvarajan, Krishnasamy Kaveri, John Fletcher, Jason T. Blackard, George Priya Doss C, Padma Srikanth

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Molecular Characterization and Evolution Analysis of Two Forms of TLR5 and TLR13 Genes Base on Larimichthys crocea Genome Data by Lihua Jiang, Liyi Pei, Ping Wang, Liqin Liu, Gong Li, Binjian Liu, Zhenming Lǚ, Tabata Hiromasa, Hao Pan, Atsushi Ogura

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RETRACTED: The role and molecular mechanism of Trop2 induced epithelial‐mesenchymal transition through mediated β‐catenin in gastric cancer by Wei Zhao, Lizhou Jia, Xingwang kuai, Qi Tang, Xiaochen Huang, Tingting Yang, Zhenning Qiu, Jin Zhu, Jianfei Huang, Wenbin Huang, Zhenqing Feng

“…Moreover, the underlying molecular mechanism of Trop2 in promoting EMT was studied by in vivo and in vitro assays. …”
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Exploring the taste presentation and receptor perception mechanism of salty peptides from Stropharia rugosoannulata based on molecular dynamics and thermodynamics simulation by Wen Li, Shuai Sun, Wanchao Chen, Haile Ma, Tingzhao Li, Zhong Zhang, Di Wu, Mengqiu Yan, Yan Yang

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Molecular Epidemiology of SARS-CoV-2 Variants in Vaccinated and Non-Vaccinated Patients of Erbil Province, Kurdistan Region-Iraq by Dlshad Abdullah Hassan, Sazan Qadir Maulud, Rzgar Farooq Rashid, Jivan Qasim Ahmed, Rezhna Khider Ali

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Stimuli‐responsive enaminitrile molecular switches as tunable AIEgens covering the chromaticity space, operating out‐of‐equilibrium, and acting as vapor sensors by Yansong Ren, Alexander Kravberg, Sheng Xie, Erik Svensson Grape, Zhen Yang, A. Ken Inge, Mingdi Yan, Olof Ramström

“…Abstract A family of responsive enaminitrile molecular switches showing tunable turn‐on fluorescence upon switching and aggregation is reported. …”
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Synthesis, Spectroscopic, Molecular Structure, and Antibacterial Studies of Dibutyltin(IV) Schiff Base Complexes Derived from Phenylalanine, Isoleucine, and Glycine by Har Lal Singh, Jangbhadur Singh

“…All compounds are characterized by elemental analyses, molar conductance measurements, and molecular weight determinations. Bonding of these complexes is discussed in terms of their UV-visible, infrared, and nuclear magnetic resonance (1H, 13C, and 119Sn NMR) spectral studies. …”
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Multipotent Effect of Clozapine on Lipopolysaccharide-Induced Acetylcholinesterase, Cyclooxygenase-2,5-Lipoxygenase, and Caspase-3: In Vivo and Molecular Modeling Studies by Minhajul Arfeen, Devendra Kumar Dhaked, Vasudevan Mani

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