Results 51 to 60 of about 4,005,619 (318)

Computer Aided Aroma Design. I. Molecular knowledge framework [PDF]

, 2008
Computer Aided Aroma Design (CAAD) is likely to become a hot issue as the REACH EC document targets many aroma compounds to require substitution. The two crucial steps in CAMD are the generation of candidate molecules and the estimation of properties ...
Floquet, Pascal, Gerbaud, Vincent, Joulia, Xavier, Korichi, Mourad, Meniai, A.-Hassan, Nacef, Salif   +5 more
core   +1 more source

Exploring lipid diversity and minimalism to define membrane requirements for synthetic cells

FEBS Letters, EarlyView.
Designing the lipid membrane of synthetic cells is a complex task, in which its various roles (among them solute transport, membrane protein support, and self‐replication) should all be integrated. In this review, we report the latest top‐down and bottom‐up advances and discuss compatibility and complexity issues of current engineering approaches ...
Sergiy Gan, Victoria Scarpelli, Marten Exterkate   +2 more
wiley   +1 more source

A rotation-translation invariant molecular descriptor of partial charges and its use in ligand-based virtual screening

Journal of Cheminformatics, 2014
BackgroundMeasures of similarity for chemical molecules have been developed since the dawn of chemoinformatics. Molecular similarity has been measured by a variety of methods including molecular descriptor based similarity, common molecular fragments ...
F. Berenger, A. Voet, Xiao Yin Lee, Kam Y. J. Zhang   +3 more
semanticscholar   +1 more source

Microbial exopolysaccharide production by polyextremophiles in the adaptation to multiple extremes

FEBS Letters, EarlyView.
Polyextremophiles are microorganisms that endure multiple extreme conditions by various adaptation strategies that also include the production of exopolysaccharides (EPSs). This review provides an integrated perspective on EPS biosynthesis, function, and regulation in these organisms, emphasizing their critical role in survival and highlighting their ...
Tracey M Gloster, Ebru Toksoy Öner
wiley   +1 more source

Molecular Descriptor Analysis of Certain Isomeric Natural Polymers

Journal of Chemistry, 2021
Polymers, drugs, and almost all chemical or biochemical compounds are frequently modeled as diverse ω-cyclic, acyclic, bipartite, and polygonal shapes and regular graphs.
Maqsood Ahmad, Muhammad Saeed, Muhammad Javaid, Ebenezer Bonyah   +3 more
doaj   +1 more source

Building Block and Building Rule: Dual Descriptor Method for Biological Sequence Analysis [PDF]

, 2008
The emergence of “Systems Biology” in recent years highlights the systematic viewpoint of bio-system modeling. Building on such a background, Dual Descriptor Method, a generic methodology for biological sequence analysis is proposed. From a
Bin-Guang Ma
core   +1 more source

A mathematical-descriptor of tumor-mesoscopic-structure from computed-tomography images annotates prognostic- and molecular-phenotypes of epithelial ovarian cancer

Nature Communications, 2019
The five-year survival rate of epithelial ovarian cancer (EOC) is approximately 35–40% despite maximal treatment efforts, highlighting a need for stratification biomarkers for personalized treatment.
Haonan Lu, M. Arshad, A. Thornton, G. Avesani, P. Cunnea, E. Curry, F. Kanavati, Jackson Liang, K. Nixon, Sophie T. Williams, Mona Hassan, D. Bowtell, H. Gabra, C. Fotopoulou, A. Rockall, E. Aboagye   +15 more
semanticscholar   +1 more source

A working model for cytoplasmic assembly of H/ACA snoRNPs

FEBS Letters, EarlyView.
Dyskerin is the component of nuclear H/ACA ribonucleoproteins (RNPs) endowed with pseudouridine synthase catalytic activity. Two isoforms of human dyskerin have been characterized: the abundant Iso1, mainly nuclear, and the shorter Iso3, mainly cytoplasmic but occasionally imported into nuclei.
Alberto Angrisani, Maria Furia
wiley   +1 more source

Novel and unscrutinized immune entities of the zebrafish gut

FEBS Letters, EarlyView.
Understudied cells of the zebrafish immune system include bona fide immune cells and epithelial (‐derived) cells with immune functions. Research focusing on zebrafish cells which demonstrate similarities to mammalian immune cell counterparts may help us understand the pathologies in which they are implicated. Currently available and advanced tools make
Audrey Inge Schytz Andersen‐Civil, Marine Mantel, Julia Soh, Serge Mostowy, Sylvia Brugman, Gilles Claude Vanwalleghem   +5 more
wiley   +1 more source

QSAR, docking and pharmacokinetic studies of 2,4-diphenyl indenol [1,2-B] pyridinol derivatives targeting breast cancer receptors [PDF]

Journal of Chemistry Letters
This study presents a computational approach for designing potent compounds against breast cancer. A robust quantitative structure-activity relationship (QSAR) model, developed using genetic algorithms and multilinear regression analysis, predicts ...
Auwal Isa, Adamu Uzairu, umar Umar, Muhammad Tukur Ibrahim, Abdullahi Umar   +4 more
doaj   +1 more source