Zobrazeno 1 - 10
of 2 142
pro vyhledávání: '"computer- aided drug design"'
Publikováno v:
Scientific Reports, Vol 14, Iss 1, Pp 1-11 (2024)
Abstract We here introduce Ensemble Optimizer (EnOpt), a machine-learning tool to improve the accuracy and interpretability of ensemble virtual screening (VS). Ensemble VS is an established method for predicting protein/small-molecule (ligand) bindin
Externí odkaz:
https://doaj.org/article/a62640ae3c944338856352a9a8dabb8d
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-11 (2024)
Abstract In recent years, significant advancements have been made in molecular generation algorithms aimed at facilitating drug development, and molecular diversity holds paramount importance within the realm of molecular generation. Nonetheless, the
Externí odkaz:
https://doaj.org/article/c0d736e2d9cf4c51b97ec6bb283d90c3
Publikováno v:
Current Issues in Molecular Biology, Vol 46, Iss 7, Pp 7592-7618 (2024)
Within the field of Philippine folkloric medicine, the utilization of indigenous plants like Euphorbia hirta (tawa-tawa), Carica papaya (papaya), and Psidium guajava (guava) as potential dengue remedies has gained attention. Yet, limited research exi
Externí odkaz:
https://doaj.org/article/f4e463a82dff4036aaccc1398bc38b59
Publikováno v:
Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-14 (2024)
Abstract As the world grapples with the relentless challenges posed by diseases like malaria, the advent of sophisticated computational tools has emerged as a beacon of hope in the quest for effective treatments. In this study we delve into the strat
Externí odkaz:
https://doaj.org/article/e9c07905327b4700ba60ff22c340bdb2
Publikováno v:
Frontiers in Pharmacology, Vol 15 (2024)
Externí odkaz:
https://doaj.org/article/9130372a7d624bb288bbb322ef46ae85
Publikováno v:
Frontiers in Chemistry, Vol 12 (2024)
Introduction: The human immunodeficiency virus (HIV) remains a significant global health concern, with a reported high infection rate of 38.4 million cases globally; an estimated 2 million new infections and approximately 700,000 HIV/AIDS-related dea
Externí odkaz:
https://doaj.org/article/2cbe8637bbb4452e8a8362adb27f113d
Autor:
Etminani Faegheh, Fazeli-Nasab Bahman, Gowtham Hittanahallikoppal Gajendramurthy, Mirzaei Ali Reza, Barasarathi Jayanthi, Sayyed Riyaz Z.
Publikováno v:
Open Agriculture, Vol 9, Iss 1, Pp 305-39 (2024)
Drought is a major problem worldwide for agriculture, horticulture, and forestry. In many cases, major physiological and biochemical changes occur due to drought stress. The plant’s response to drought stress includes a set of systems for intracell
Externí odkaz:
https://doaj.org/article/b80e41aad54e4d859eccf3e2025d4daa
Publikováno v:
Anesthesiology and Perioperative Science, Vol 2, Iss 1, Pp 1-25 (2024)
Abstract Computer-aided drug design (CADD) has emerged as a highly effective and indispensable tool for streamlining the drug discovery process, leading to significant reductions in cost and time. The integration of CADD with machine learning (ML) an
Externí odkaz:
https://doaj.org/article/9ad92b6f84c4434aa8b6c56566478900
Publikováno v:
Frontiers in Chemistry, Vol 12 (2024)
Externí odkaz:
https://doaj.org/article/1d2afa00387942398230a62a50613c76
Recent advances in application of computer-aided drug design in anti-COVID-19 Virials Drug Discovery
Publikováno v:
Biomedicine & Pharmacotherapy, Vol 173, Iss , Pp 116423- (2024)
Corona Virus Disease 2019 (COVID-19) is a global pandemic epidemic caused by severe acute respiratory syndrome coronavirus type 2 (SARS-CoV-2), which poses a serious threat to human health worldwide and results in significant economic losses. With th
Externí odkaz:
https://doaj.org/article/c6e0d08ff6d14541a7f862ace830d2fb