Search Results - "Molecular dynamic simulation" :: K.UTB vyhledávací portál

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Exploring hydrophobicity or hydrophilicity of borophene surface via reactive molecular dynamics simulation

by Foroutan, Masumeh, Sababkar, Mahnaz, Bavani, Borhan Mostafavi
Published in Scientific reports (13.09.2024)

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Botulinum neurotoxin inhibitor binding dynamics and kinetics relevant for drug design

by Patel, Kruti B., Kononova, Olga, Cai, Shuowei, Barsegov, Valeri, Parmar, Virinder S., Kumar, Raj, Singh, Bal Ram
Published in Biochimica et biophysica acta. General subjects (01.09.2021)

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Molecular Mechanics Demonstrate S-COMT as promising therapeutic receptor when analyzed with secondary plant metabolites

by Garg, Deepanshu, Vashishth, Aarya, Jayawant, Maharsh Jayadeep, Bastikar, Virupaksha A.
Published in Journal of the Indian Chemical Society (01.11.2024)

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In silico exploration of phenolics as modulators of penicillin binding protein (PBP) 2× of Streptococcus pneumoniae

by Aribisala, Jamiu Olaseni, S’thebe, Nosipho Wendy, Sabiu, Saheed
Published in Scientific reports (16.04.2024)

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Antiviral activity of some benzo[g]quinazolines against coxsackievirus B4: biological screening and docking study

by Abuelizz, Hatem A., Bakheit, Ahmed H., Marzouk, Mohamed, El-Senousy, Waled M., Abdellatif, Mohamed M., Mostafa, Gamal A. E., Saquib, Quaiser, Hassan, Sawsan B., Al-Salahi, Rashad
Published in Pharmacological Reports (01.08.2023)

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BESFA: bioinformatics based evolutionary, structural & functional analysis of prostrate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs

by Qazi, Sahar, Jit, Bimal Prasad, Das, Abhishek, Karthikeyan, Muthukumarasamy, Saxena, Amit, Ray, M D, Singh, Angel Rajan, Raza, Khalid, Jayaram, B, Sharma, Ashok
Published in Heliyon (01.09.2022)

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Microstructure evolution and properties of liquid Fe–P with different phosphorus content: molecular dynamic investigation

by Jiang, Chunhe, Liu, Bo, Liang, Wang, Zhang, Jianliang, Li, Kejiang
Published in Journal of molecular modeling (01.05.2025)

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Screening and identification of potential MERS-CoV papain-like protease (PLpro) inhibitors; Steady-state kinetic and Molecular dynamic studies

by Ali Dahhas, Mohammed, M. Alkahtani, Hamad, Malik, Ajamaluddin, Almehizia, Abdulrahman A, Bakheit, Ahmed H., Akber Ansar, Siddique, AlAbdulkarim, Abdullah S., S.Alrasheed, Lamees, Alsenaidy, Mohammad A.
Published in Saudi pharmaceutical journal (01.02.2023)

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Natural Products as Potential Inhibitors of FLT3 for Acute Myeloid Leukemia: HTVS, Docking, and Molecular Dynamic Simulation

by Salah, Salsabeel, Sami, Najat, Ali, Sarah, Khalid, Teemah-Alrahman, Alnajjar, Radwan
Published in Scientiae Radices (02.12.2023)

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Molecular Dynamics Simulation from Symmetry Breaking Changing to Asymmetrical Phospholipid Membranes Due to Variable Capacitors during Resonance with Helical Proteins

by Thi Dang, Dung, Monajjemi, Majid, Mollaamin, Fatemeh, Dang, Chien
Published in Symmetry (Basel) (01.06.2023)

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Echinoderms Metabolites: Structure, Functions and Biomedical Perspectives II

Year of Publication 2022

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BESFA: bioinformatics based evolutionary, structural & functional analysis of Prostate, Placenta, Ovary, Testis, and Embryo (POTE) paralogs

by Qazi, Sahar, Jit, Bimal Prasad, Das, Abhishek, Karthikeyan, Muthukumarasamy, Saxena, Amit, Ray, M.D., Singh, Angel Rajan, Raza, Khalid, Jayaram, B., Sharma, Ashok
Published in Heliyon (01.09.2022)

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