Results 181 to 190 of about 663,691 (274)

Unleashing the Power of Machine Learning in Nanomedicine Formulation Development

Advanced Functional Materials, EarlyView.
A random forest machine learning model is able to make predictions on nanoparticle attributes of different nanomedicines (i.e. lipid nanoparticles, liposomes, or PLGA nanoparticles) based on microfluidic formulation parameters. Machine learning models are based on a database of nanoparticle formulations, and models are able to generate unique solutions
Thomas L. Moore, Cristiano Pesce, Antonietta Greco, Claudia Pisante, Greta Avancini, Valentina Di Francesco, Yosi Shamay, Paolo Decuzzi   +7 more
wiley   +1 more source

Computational Chemistry Column: Computational Chemistry in Switzerland and the Future HLR-91 Supercomputer

CHIMIA, 1991
J. Weber, H. Huber, H. P. Weber
doaj   +2 more sources

Computational Chemistry: Abstracts 98-127

CHIMIA, 2006
Swiss Chemical Society
doaj   +1 more source

Exploring the Efficacy and Target Genes of Atractylodes Macrocephala Koidz Against Alzheimer's Disease Based on Multi-Omics, Computational Chemistry, and Experimental Verification. [PDF]

Curr Issues Mol Biol
Zheng Y, Gao X, Tang J, Gao L, Cui X, Liu K, Zhang X, Jin M.   +7 more
europepmc   +1 more source

Expanding Chemical Space of Nucleic Acid Nanoparticles for Tunable Antiviral‐Like Immunomodulatory Responses and Potent Adjuvant Activity

Advanced Functional Materials, EarlyView.
We introduce a nucleic acid nanoparticle (NANP) platform designed to be rrecognized by the human innate immune system in a regulated manner. By changing chemical composition while maintaining constant architectural parameters, we identify key determinants of immunorecognition enabling the rational design of NANPs with tunable immune activation profiles
Martin Panigaj, Hannah S. Newton, Jian Wang, Laxmi Pandey, Yelixza I. Avilla, Phong Nguyen, Morgan Chandler, Justin Halman, Yasmine Radwan, Stephanie Smith, Elijah Edmondson, Simone Difilippantonio, Chelsea Sanders, Bao Tran, Yongmei Zhao, Shaojun Xie, Edward Cedrone, Barry W. Neun, Meni Wanunu, Nikolay V. Dokholyan, Marina A. Dobrovolskaia, Kirill A. Afonin   +21 more
wiley   +1 more source

Text Mining and Computational Chemistry Reveal Trends in Applications of Laser Desorption/Ionization Techniques to Small Molecules. [PDF]

J Am Soc Mass Spectrom
Bergman NP, Bergquist J, Hedeland M, Palmblad M.   +3 more
europepmc   +1 more source

A Termite‐Inspired Alternative to Cement

Advanced Functional Materials, EarlyView.
A termite‐inspired composite of clay, cellulose, and lignin forms a dense fibrous network with concrete‐like strength (32 MPa) and superior elasticity, processed at ambient temperature. Abstract Clay combined with organic materials is used by termites as a strong and durable construction material for their mounds with minimal environmental impact. Here,
Oren Regev, Peter Fratzl, Emeline Raguin, Markus Antonietti   +3 more
wiley   +1 more source

Ultrahigh‐Yield, Multifunctional, and High‐Performance Organic Memory for Seamless In‐Sensor Computing Operation

Advanced Functional Materials, EarlyView.
Molecular engineering of a nonconjugated radical polymer enables a significant enhancement of the glass transition temperature. The amorphous nature and tunability of the polymer, arising from its nonconjugated backbone, facilitates the fabrication of organic memristive devices with an exceptionally high yield (>95%), as well as substantial ...
Daeun Kim, Jaehyoung Ko, Namju Kim, Quynh H. Nguyen, Hoyeon Lee, Joohwan Eo, Seongeon Jin, Ji Eon Kwon, Seung‐Yeol Jeon, Youngdo Jeong, Dongseok Kwon, Sung Gap Im, Sanghan Lee, Byung Chul Jang, Yongho Joo   +14 more
wiley   +1 more source

A Geometric Approach for the Calculation of the Nonrandomness Factor Using Computational Chemistry. [PDF]

J Chem Eng Data
Velho P, Barroca LR, Macedo EA.
europepmc   +1 more source

Programmable DNA‐Peptide Hybrid Nanostructures for Potent Neutralization of Multiple Influenza a Virus Subtypes

Advanced Functional Materials, EarlyView.
A multivalent antiviral platform based on honeycomb‐shaped DNA nanostructures (HC–Urumin) is developed to enhance the potency and breadth of the host defense peptide Urumin. Through spatially patterned trimeric presentation, HC–Urumin disrupts influenza A virus entry, improves cell viability, and reduces disease severity in vivo‐offering a modular and ...
Saurabh Umrao, Abhisek Dwivedy, Payton L. Haak, Dhanush Gandavadi, Laurie A. Rund, Chi Chen, Vineetha Mareddy, Lifeng Zhou, Jinwei Duan, Ying Fang, Andrew J. Steelman, Xing Wang   +11 more
wiley   +1 more source