Results 61 to 70 of about 4,406,611 (299)
Computational Chemistry at Novartis
CHIMIA, 2005 Computational approaches have become an integral part of modern drug discovery and medicinal chemistry. These approaches can be roughly classified into data/information mining (or filtering) and modelling/simulation methods. Taken together, they
Richard Lewis +6 more
doaj +1 more source
Surfaceome: a new era in the discovery of immune evasion mechanisms of circulating tumor cells
Molecular Oncology, EarlyView.In the era of immunotherapies, many patients either do not respond or eventually develop resistance. We propose to pave the way for proteomic analysis of surface‐expressed proteins called surfaceome, of circulating tumor cells. This approach seeks to identify immune evasion mechanisms and discover potential therapeutic targets. Circulating tumor cells (
Doryan Masmoudi +3 more
wiley +1 more source
, 2013 ”How can computers help with chemistry?” The purpose of this course is to introduce computer science from a chemist's perspective. The course begins with an introduction to the basic use of computers for data search and molecular structure and ...
65286, IRLE, Stephan
core
Molecular Oncology, EarlyView.We propose an efficient strategy to suppress ALK inhibitor (ALKi) resistance. By analyzing transcriptome data, we identified emetine as a potential inhibitor. We demonstrated that emetine exhibited effectiveness in inhibiting the growth of ALKi‐resistant cells, and further interpreted its impact on the resistant signatures through drug‐induced RNA ...
Sang‐Min Park +8 more
wiley +1 more source
Player Chemistry: Striving for a Perfectly Balanced Soccer Team [PDF]
arXiv, 2020 Soccer scouts typically ignore the team balance and team chemistry when evaluating potential signings for their teams. Instead, they focus on the individual qualities of the players in isolation. To overcome this limitation of their recruitment process, this paper takes a first step towards objectively providing insight into the question: How well does
arxiv
Molecular Oncology, EarlyView.Large multidimensional digital images of cancer tissue are becoming prolific, but many challenges exist to automatically extract relevant information from them using computational tools. We describe publicly available resources that have been developed jointly by expert and non‐expert computational biologists working together during a virtual hackathon
Sandhya Prabhakaran +16 more
wiley +1 more source
iScience, 2023 Summary: The interest for heterometallic lanthanide-d or-p metal (Ln-M) complexes is growing because of a potential cooperative or synergistic effect related to the proximity of two different metals in the same molecular architecture affording special ...
Luca Bellucci +8 more
doaj
Exploiting locality in quantum computation for quantum chemistry [PDF]
J. Phys. Chem. Lett. 5, 4368 (2014), 2014 Accurate prediction of chemical and material properties from first principles quantum chemistry is a challenging task on traditional computers. Recent developments in quantum computation offer a route towards highly accurate solutions with polynomial cost, however this solution still carries a large overhead.
arxiv +1 more source
Molecular Oncology, EarlyView.Male infertility is a known risk factor for the development of testicular cancer. In this paper, we analyzed the expression profile of a microRNA panel by real‐time PCR and validated the results by digital PCR. Experimental and bioinformatics analyses allowed us to identify possible biomarkers able to discern men with a higher risk of developing ...
Carmen Ferrara +14 more
wiley +1 more source
Education Sciences, 2022 Computational and atmospheric chemistry are two important branches of contemporary chemistry. With the present topical nature of climate change and global warming, it is more crucial than ever that students are aware of and exposed to atmospheric ...
Eleanor J. Stelz-Sullivan +2 more
doaj +1 more source