„docking“

Suchergebnisse

7.903 Treffer

• Enhancing PI3Kγ inhibitor discovery: a machine learning-based virtual screening approach integrating pharmacophores, docking, and molecular descriptors
  Jia, Lei ; Xu, Lei ; Cai, Yanfei ; Chen, Yun ; Jin, Jian ; Yu, Li ; Zhu, Jingyu
• Ligand B‐Factor Index: A Metric for Prioritizing Protein‐Ligand Complexes in Docking
  Halip, Liliana ; Neanu, Cristian ; Avram, Sorin
• Rosmarinus Officinalis L. essential oil: in Silico molecular docking and in vivo nematocidal activity on intestinal and muscular trichinellosis
  Salam, Sara A. Abdel ; El-Darier, Salama M. ; Ashmawy, Mohamed I. ; Abdelaziz, Marwa ; Arafa, Fadwa M.
• Sertraline as a Scaffold for Antitrypanosoma Cruzi Drug Development: Design of Novel Derivatives and Computational Target Screening
  Mijoba, Ali S. ; Blanco, Zuleyma ; Parra‐Giménez, Nereida J. ; Chávez, Katiuska E. ; Suárez, Alirica I. ; Fernandez‐Moreira, Esteban ; Ramírez, Hegira ; Serrano, Xenón A. ; Espinosa, Sandra ; Charris, Jaime E.
• ADME analysis, metabolic prediction, and molecular docking of lipoic acid with SARS-CoV-2 Omicron spike protein
  Santos, Carlos Alonso Leite dos ; Araújo Monteiro, Antonia Adeublena de ; Costa, Adrielle Rodrigues ; Barros, Luiz Marivando ; Aloufi, Abdulaziz ; Almutairi, Mashal M. ; Hassan, Waseem ; Kamdem, Jean Paul ; Duarte, Antonia Eliene ; Ali, Abid ; Ibrahim, Mohammad
• Computational Studies on Maraviroc Derivatives for HIV Treatment: QSAR and Molecular Docking Approaches
  Sayyadi Kordabadi, R. ; Hashemi, S. A. S. ; Alizadeh, O.
• Study on the Interaction of Olmesartan with Human Serum Albumin by Spectroscopic and Molecular Docking Techniques
  Shalbafan, M. ; Sadeghpour, M. ; Olyaei, A.
• Structural characterization of microcrystalline and nanocrystalline cellulose from Ananas comosus L. leaves: Cytocompatibility and molecular docking studies
  Sainorudin, Muhammad Hanif ; Abdullah, Nur Athirah ; Asmal Rani, Mohd Saiful ; Mohammad, Masita ; Mahizan, Munirah ; Shadan, Nursyazwani ; Abd Kadir, Nurul Huda ; Yaakob, Zahira ; El-Denglawey, Adel ; Alam, Mahboob
• Photocatalytic activity of biogenic zinc oxide nanoparticles: In vitro antimicrobial, biocompatibility, and molecular docking studies
  Alam, Mahboob
• Optimizing the underlying parameters for protein-nanoparticle interaction: advancement in theoretical simulation
  Khan, Syamantak ; Nandi, Chayan K.
• Exploring the Therapeutic Potential and Metabolic Profiling of Penicillium herquei Assisted with Docking Studies
  Khan, Muhammad Atif ; Ahmad, Bashir ; Alghamdi, Saad ; Kabrah, Ahmed ; Alaroud, Amane A. ; Preet, Gagan ; Zengin, Gokhan ; Farid, Arshad
• Novel agents inhibiting the Marburg nucleoprotein using molecular docking, ADMET, MD, and quantum DFT methods
  Victorien Hermann, Haiwang Djefoulna ; Jules, Fifen Jean ; Jeanet, Conradie
• The molecular basis of all-trans retinoic acid binding to the target genes involved in rheumatoid arthritis through network pharmacology and molecular docking
  Zheng, Xi ; Ke, Xin ; Gao, Jie ; Zheng, Zhaohui ; Zhu, Ping
• Comparison of Polyethylene Terephthalate (PET) Degrading Cutinases from Bacteria and Fungi: Structural Characterization and Molecular Docking Analysis
  Rezaei, Zeinab ; Moghimi, Hamid ; Kukol, Andreas
• Exploring the antipyretic efficacy of Merremia vitifolia (Burm. fil.): from traditional use to molecular docking insights
  Islam, Fakhrul ; Tawhid, Muhammad ; Jan, Md. Estiac ; Amanat, Muhammed ; Kumar, Khamender
• Quantum chemical modeling, molecular docking, and ADMET evaluation of imidazole phenothiazine hybrids
  Shukla, Deepanjali ; Azad, Iqbal ; Sheikh, Sabahat Yasmeen ; Ali, Saud Nusrat ; Ahmad, Naseem ; Kamal, Azhar ; Faiyyaz, Mohd ; Khan, Abdul Rahman ; Ahmad, Varish ; Alghamdi, Anwar A. ; Nasibullah, Malik ; Hassan, Firoj
• Identification of components in scorpion and centipede traditional Chinese medicine formulations with potentially beneficial actions in asthma: network pharmacology and molecular docking
  Chen, Yi-Ren ; Zhang, Ya-Da ; Zhang, Wei ; Tang, Bin-Qing
• Synthesis of novel trans-2,3-dihydrofuran-pyrazole conjugates through molecular hybridization: molecular docking insights and evaluation of anti-inflammatory and anti-malarial activities
  Kumari, Ginna ; Rani, Priyanka ; Dhillon, Sudeep ; Chahal, Mamta ; Kumar, Binesh ; Devi, Jai ; Aneja, Deepak Kumar ; Kinger, Mayank
• Discovery of a novel lead compound targeting BRD4 BD2 with a di-phenyl ether fragment: Synthesis, molecular docking and drug-likeness studies
  Zhang, Maofeng ; Zhang, Liguang ; Zhang, Yan ; Feng, Xin ; Liang, Rui ; Liu, Songbai
• Synthesis, Antimicrobial Activity and Molecular Docking of New N-Acylated Derivatives of 5-(3-Phenoxyphenyl)-1,3,4-oxadiazol-2-amine
  Md, Kadeer ; Parangi, R. K. ; Prabhakar, G. ; Domala, R.