Loại tài liệu:    Chỉ tìm trong: 
11-20 trong số 29 kết quả
Virtual screening and molecular dynamics simulation of natural compounds as potential inhibitors of serine/threonine kinase 16 for anticancer drug discovery
Tác giả: Dhurgham Al-Fahad, G Ropón-Palacios, Damilola A Omoboyowa, Gagandeep Singh, Rajesh B Patil
Xuất bản: Netherlands: Molecular diversity , 2025
Bộ sưu tập: NCBI
ddc:  004.678
 
A Virtual Screening Approach to Evaluate the Multitarget Potential of a Chalcone Library with Binding Properties to Oligopeptidase B and Cysteine Proteinase B from
Tác giả: Patrícia Queiroz Monteiro, Edgar Schaeffer, Alcides José Monteiro da Silva, Carlos Roberto Alves, Franklin Souza-Silva
Xuất bản: Switzerland: International journal of molecular sciences , 2025
Bộ sưu tập: NCBI
ddc:  362.177
 
Scaling Structure Aware Virtual Screening to Billions of Molecules with SPRINT
Tác giả: Andrew T McNutt, Abhinav K Adduri, Caleb N Ellington, Monica T Dayao, Eric P Xing, Hosein Mohimani, David R Koes
Xuất bản: United States: ArXiv , 2025
Bộ sưu tập: NCBI
ddc:  616.1572
 
MuDRA-Based Virtual Screening of Terpenes for Anti-Leishmania Infantum Activity: In Vitro Validation and Mechanistic Insights from Molecular Docking
Tác giả: Renata Priscila Barros de Menezes, Natália Ferreira de Sousa, Francisco Jaime Bezerra Mendonça-Júnior, Luciana Scotti, Marcus Tullius Scotti, Chonny Herrera-Acevedo, Rodrigo Santos Aquino de Araújo, Nikole Durand Trigueiro Lira, Josean Fechine Tavares, Massuo Jorge Kato, Francisco Alex da Rocha Coelho, Airton Lucas Sousa Dos Santos, Klinger Antonio da Franca Rodrigues
Xuất bản: Germany: ChemMedChem , 2025
Bộ sưu tập: NCBI
ddc:  296.141
 
A structure-based virtual screening identifies a novel MDM2 antagonist in the activation of the p53 signaling and inhibition of tumor growth
Tác giả: Qing-Yong Hu, Lei Li, Yu-Huang Li, Hai-Bo Zhang, Tao Deng, Yang Liu, Feng-Tian Li, Zhi-Xiong Xiao, Yang Cao
Xuất bản: United States: Acta pharmacologica Sinica , 2025
Bộ sưu tập: NCBI
ddc:  548.8
 
Virtual screening, ADME prediction, drug-likeness, and molecular docking analysis of Fagonia indica chemical constituents against antidiabetic targets
Tác giả: Rabia Riaz, Shagufta Parveen, Nusrat Shafiq, Awais Ali, Maryam Rashid
Xuất bản: Netherlands: Molecular diversity , 2025
Bộ sưu tập: NCBI
ddc:  156.3
 
Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking [electronic resource]
Tác giả:
Xuất bản: Washington, D.C. : Oak Ridge, Tenn: United States. Dept. of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy , 2021
Bộ sưu tập: Báo, Tạp chí
ddc:  576.8
 
Targeting multiple pathways with virtual screening to identify the multi-target agent for Alzheimer's disease treatment
Tác giả: Pitchayakarn Takomthong, Chantana Boonyarat, Pornthip Waiwut
Xuất bản: Netherlands: Journal of computer-aided molecular design , 2025
Bộ sưu tập: NCBI
ddc:  553.453
 
Evaluating the structure-based virtual screening performance of SARS-CoV-2 main protease: A benchmarking approach and a multistage screening example against the wild-type and Omicron variants
Tác giả: Noha Galal, Botros Y Beshay, Omar Soliman, Muhammad I Ismail, Mohamed Abdelfadil, Mohamed El-Hadidi, Reem K Arafa, Tamer M Ibrahim
Xuất bản: United States: PloS one , 2025
Bộ sưu tập: NCBI
ddc:  002.074
 
A fast and efficient virtual screening and identification strategy for helix peptide binders based on finDr webserver: A case study of bovine serum albumin (BSA)
Tác giả: Jiarui Bu, Na Luo, Xiao Zhang, Cheng Shen, Chongxin Xu, Qing Zhu, Chengyu Chen, Yajing Xie, Xianjin Liu, Yuan Liu, Chuping Luo
Xuất bản: Netherlands: International journal of biological macromolecules , 2025
Bộ sưu tập: NCBI
ddc:  796.8125
 

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