Search Results - Bio-computational modeling

Bio-computational modeling, POM analysis and molecular dynamic simulation for novel synthetic quinolone and benzo[d][1,3]oxazine candidates as antimicrobial inhibitors by Elsayed, Doaa A., Abdu, Mohamed E., Marzouk, Mohammed A., Mahmoud, Elsayed M., El-Shwiniy, Walaa H., Spring, Andrew M., Shehab, Wesam S.

“…The current study offers a metal-free, direct, and successful synthesis technique for a new series of quinolinone and benzo[d][1,3]oxazine, along with an…”
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Bio-computational modeling, POM analysis and molecular dynamic simulation for novel synthetic quinolone and benzod1,3oxazine candidates as antimicrobial inhibitors by Elsayed, Doaa A, Abdu, Mohamed E, Marzouk, Mohammed A, Mahmoud, Elsayed M, El-Shwiniy, Walaa H, Spring, Andrew M, Shehab, Wesam S

“…The current study offers a metal-free, direct, and successful synthesis technique for a new series of quinolinone and benzo[d][1,3]oxazine, along with an…”
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Design, synthesis, biological evaluation, and bio-computational modeling of imidazo, thieno, pyrimidopyrimidine, pyrimidodiazepene, and motifs as antimicrobial agents by El-Ahwany Maged F., Assy Mohamed G., Sherif Mohamed H., Soliman Mohamed R., Titi Abderrahim, Touzani Rachid, El-Gendey Marwa S., Shehab Wesam S., Abdellattif Magda H.

“…In the drug chemistry industry, synthesizing a talented exclusive series of aza-polyheterocyclic compounds was crucial. Aminopyrimidine nucleus reacted with…”
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Investigating Impact of Current Pulse Waveform and Simulation Frequency on Deep Brain Stimulation by Salkım, Enver

“…Bio-computational models have a significant impact on the design and development of medical devices…”
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Unfolding the prospects of computational (bio)materials modeling by Sevink, G J Agur, Liwo, Jozef Adam, Asinari, Pietro, MacKernan, Donal, Milano, Giuseppe, Pagonabarraga, Ignacio

“…In this perspective communication, we briefly sketch the current state of computational (bio)material research and discuss possible solutions for the four…”
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Computational modeling of biomechanics and biorheology of heated red blood cells by Liu, Zixiang Leonardo, Li, He, Qiang, Yuhao, Buffet, Pierre, Dao, Ming, Karniadakis, George Em

“…Because of their compromised deformability, heat denatured erythrocytes have been used as labeled probes to visualize spleen tissue or to assess the ability of…”
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Computational modeling of vacuum-assisted delivery: biomechanics of maternal soft tissues: Computational modeling of vacuum-assisted delivery: biomechanics of maternal soft tissues by Moura, Rita, Oliveira, Dulce A., Kimmich, Nina, Jorge, Renato M. Natal, Parente, Marco P. L.

“…Childbirth is a complex process influenced by physiological, mechanical, and hormonal factors. While natural vaginal delivery is the safest, it is not always…”
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Computational modeling in bioengineering and bioinformatics by Filipovic, Nenad

“…Computational Modeling in Bioengineering and Bioinformatics promotes complementary disciplines that hold great promise for the advancement of research and development in complex medical and biological…”
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The study of G‐protein coupled receptor oligomerization with computational modeling and bioinformatics by Filizola, Marta, Weinstein, Harel

“…‐order oligomers. Approaches and tools offered by bioinformatics can be used to reduce the complexity of this task and, combined with computational modeling, can serve to yield testable predictions for the structural…”
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Mass Spectrometric and Bio-Computational Binding Strength Analysis of Multiply Charged RNAse S Gas-Phase Complexes Obtained by Electrospray Ionization from Varying In-Solution Equilibrium Conditions by Koy, Cornelia, Opuni, Kwabena F. M., Danquah, Bright D., Neamtu, Andrei, Glocker, Michael O.

“…We investigated the influence of a solvent’s composition on the stability of desorbed and multiply charged RNAse S ions by analyzing the non-covalent complex’s…”
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Computational Modelling of Biomechanics and Biotribology in the Musculoskeletal System - Biomaterials and Tissues (2nd Edition) by Jin, Z, Li, Junyan, Chen, Zhenxian

“…, the fundamentals of computational modeling of biomechanics in the musculoskeletal system, finite element modeling…”
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Computational Modeling of bio-MOFs for CO2/CH4 separations by Erucar, Ilknur, Keskin, Seda

“…Bio-metal organic frameworks (Bio-MOFs), composed of biocompatible metal cations and linker molecules such as amino acids, nucleobases and sugars, are…”
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Computational biomedical modeling and screening for prediction of molecular mechanisms of Simiao Pill against hyperuricemia by Chen, Qinghong, Chen, Xiaomei, Chen, Xiaohu, Li, Mingdi, Komori, Akari, Sun, Xiaomin, Liu, Yanyan, Wei Hong Yang, Angela, Hung, Andrew, Zhao, Xiaoshan, Li, Hong

“… Nonetheless, the mechanisms underlying SMP against HUA remain unclear. We employed computational biomedical modeling and screening to explore the potential pharmacodynamic components and the mechanisms of SMP for HUA…”
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Effects of Plate‐Bone Contact on Bridge Plate Fracture Fixation Biomechanics: Computational, Experimental, and Analytical Modeling by Koroneos, Zachary A., Wee, Hwabok, Reid, J. Spence, Lewis, Gregory S.

“…Bridge plating is commonly used for internal fixation of comminuted fractures. The inner working length between screws has been established as a key parameter…”
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Multiscale Modeling in Computational Biomechanics: Determining Computational Priorities and Addressing Current Challenges by TAWHAI, MERRYN, BISCHOFF, JEFF, EINSTEIN, DANIEL, ERDEMIR, AHMET, GUESS, TRENT, REINBOLT, JEFF

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Toward Good Simulation Practice: Best Practices for the Use of Computational Modelling and Simulation in the Regulatory Process of Biomedical Products by Viceconti, Marco, Emili, Luca

“…This open access book, the Community of Practice led by the VPH Institute, the Avicenna Alliance, and the In Silico World consortium has brought together 138…”
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Computational Modeling in Biomedical Engineering and Medical Physics by Morega, Alexandru, Morega, Mihaela, Dobre, Alin

“…Mathematical and numerical modelling of engineering problems in medicine is aimed at unveiling and understanding multidisciplinary interactions and processes and providing insights useful to clinical…”
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Corrigendum to “Computational biomedical modeling and screening for prediction of molecular mechanisms of Simiao Pill against hyperuricemia” [J. Mol. Liquids 381 (2023) 121827] by Chen, Qinghong, Chen, Xiaomei, Chen, Xiaohu, Li, Mingdi, Komori, Akari, Sun, Xiaomin, Liu, Yanyan, Yang, Angela Wei Hong, Hung, Andrew, Zhao, Xiaoshan, Li, Hong

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Glioma-Targeted Therapeutics: Computer-Aided Drug Design Prospective by Poonan, Preantha, Agoni, Clement, Ibrahim, Mahmoud A. A., Soliman, Mahmoud E. S.

“…Amongst the several types of brain cancers known to humankind, glioma is one of the most severe and life-threatening types of cancer, comprising 40% of all…”
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Computational modeling and bioinformatic analyses of functional mutations in drug target genes in Mycobacterium tuberculosis by Singh, Pooja, Jamal, Salma, Ahmed, Faraz, Saqib, Najumu, Mehra, Seema, Ali, Waseem, Roy, Deodutta, Ehtesham, Nasreen Z., Hasnain, Seyed E.

“…[Display omitted] •MycoTRAP-DB, a database of mutations and their impact on normal functionality of protein in M.tb genes.•Several secondary mutations were…”
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