Results 41 to 50 of about 5,773,364 (265)

A Loop‐Based and AGO‐Incorporated Virtual Screening Model Targeting AGO‐Mediated miRNA–mRNA Interactions for Drug Discovery to Rescue Bone Phenotype in Genetically Modified Mice

Advanced Science, 2020
Several virtual screening models are proposed to screen small molecules only targeting primary miRNAs without selectivity. Few attempts have been made to develop virtual screening strategies for discovering small molecules targeting mature miRNAs. Mature
Zhenjian Zhuo, Youyang Wan, Daogang Guan, Shuaijian Ni, Luyao Wang, Zongkang Zhang, Jin Liu, Chao Liang, Yuanyuan Yu, Aiping Lu, Ge Zhang, Bao‐Ting Zhang   +11 more
doaj   +1 more source

Revolutionizing Drug Design with Artificial Intelligence: A Comprehensive Review of Techniques, Applications, and Case Studies

Journal of Pharmaceutical Research, 2023
Introduction: Artificial intelligence (AI) has the potential to revolutionize drug design and discovery by significantly reducing the time and costs involved in developing new drugs.
Varun Pareek, Lakshya Tuteja, Lokendra Sharma, Susheel Kumar, Noopur Verma   +4 more
doaj   +1 more source

A Vending Machine for Drug-like Molecules – Automated Synthesis of Virtual Screening Hits [PDF]

, 2022
As a result of high false positive rates in virtual screening campaigns, prospective hits must be synthesised for validation. When done manually, this is a time consuming and laborious process.
Angus E., MacMillan, Wilson W. X., Wu, Benedikt M. , Wanner, Paula L., Nichols, Jeffrey, Bode   +4 more
core   +2 more sources

Evaluating GenAI‐produced feedback on undergraduate bioscience essays against good higher education feedback practice

FEBS Open Bio, EarlyView.
This pilot study investigates the potential of Generative AI to provide formative feedback to students. ChatGPT was prompted to provide feedback on Year 1 Bioscience essays, which were evaluated against established good feedback practices. GenAI‐authored feedback had useful elements, but was limited in scope. GenAI may have potential to provide instant,
Annabel Court, Nigel Francis, Andrew Shore, Stephen Rutherford   +3 more
wiley   +1 more source

NeuralDock: Rapid and Conformation-Agnostic Docking of Small Molecules

Frontiers in Molecular Biosciences, 2022
Virtual screening is a cost- and time-effective alternative to traditional high-throughput screening in the drug discovery process. Both virtual screening approaches, structure-based molecular docking and ligand-based cheminformatics, suffer from ...
Congzhou M. Sha, Congzhou M. Sha, Jian Wang, Nikolay V. Dokholyan, Nikolay V. Dokholyan, Nikolay V. Dokholyan, Nikolay V. Dokholyan   +6 more
doaj   +1 more source

A nationwide student survey on biochemistry learning resources in Italy

FEBS Open Bio, EarlyView.
We conducted a survey among Italian university students to investigate their preferred study materials for biochemistry. We then analyzed the collected data to identify these materials. This information may be valuable to the Biochemistry educational community. The graphical abstract was created with Claude (Opus 5.5; Anthropic, 2026).
Anna Marabotti, Ivano Eberini, Maria Luisa Genova, Francesca Mensitieri, Francesco Malatesta   +4 more
wiley   +1 more source

Transfer learning across different chemical domains: virtual screening of organic materials with deep learning models pretrained on small molecule and chemical reaction data

Journal of Cheminformatics
Machine learning is becoming a preferred method for the virtual screening of organic materials due to its cost-effectiveness over traditional computationally demanding techniques.
Chengwei Zhang, Yushuang Zhai, Ziyang Gong, Hongliang Duan, Yuan-Bin She, Yun-Fang Yang, An Su   +6 more
doaj   +1 more source

Comparing the Effect of Semi‐Immersive Virtual Reality, Computerized Cognitive Training, and Traditional Rehabilitation on Cognitive Function in Multiple Sclerosis: A Randomized Clinical Trial

Annals of Clinical and Translational Neurology, EarlyView.
ABSTRACT Background Cognitive impairment is a common non‐motor symptom in Multiple Sclerosis (MS), negatively affecting autonomy and Quality of Life (QoL). Innovative rehabilitation strategies, such as semi‐immersive virtual reality (VR) and computerized cognitive training (CCT), may offer advantages over traditional cognitive rehabilitation (TCR ...
Maria Grazia Maggio, Desiree Latella, Lilla Bonanno, Paulo Cezar Rocha dos Santos, Marcos Maldonado‐Díaz, Meir Plotnik, Rosaria De Luca, Angelo Quartarone, Rocco Salvatore Calabrò   +8 more
wiley   +1 more source

Evaluation of high performance computing platforms for drug discovery

Journal of Computer Science and Technology, 2015
In my dissertation, we evaluate the current landscape of computation, using as a case study a high-impact problem for society as virtual screening. Virtual screening is a computational tool extensively used for drug discovery.
Guinés D. Guerrero
doaj  

ViSAS for Entering Chemical Space: Virtual Screening of Analog Series and Related Advances [PDF]

, 2022
The manuscript discusses recent advances on computer-aided drug discovery (CADD) with focus on data-dependent drug discovery. Herein, we do not intend to review the many CADD methodologies comprehensively.
José J., Naveja-Romero, Fernanda I., Saldívar-González, Diana L., Prado-Romero, Marco, Velasco-Velázquez, José L., Medina-Franco, Angel J., Ruiz-Moreno, Ramón Alain, Miranda-Quintana   +6 more
core   +1 more source