Results 81 to 90 of about 436,297 (318)
Generic Strategies for Chemical Space Exploration [PDF]
, 2014 Computational approaches to exploring "chemical universes", i.e., very large sets, potentially infinite sets of compounds that can be constructed by a prescribed collection of reaction mechanisms, in practice suffer from a combinatorial explosion.
Andersen, Jakob L. +3 more
core +1 more source
The Phytochemical Ingredients and Therapeutic Potential of Cynara scolymus L.
Pharmaceutical and Biomedical Research, 2021 Background: Medicinal herbs remain a vital source of new chemical entities, instead of the attempt of pharmaceutical companies using combinatorial and synthetic chemistry techniques for developing new drugs.
Sanjay Agarwal +3 more
doaj
Ion channel function of polycystin‐2/polycystin‐1 heteromer revealed by structure‐guided mutagenesis
FEBS Letters, EarlyView.Mutations in polycystin‐1 (PC1) or polycystin‐2 (PC2) cause autosomal‐dominant polycystic kidney disease (ADPKD). We generated a novel gain‐of‐function PC2/PC1 heteromeric ion channel by mutating pore‐blocking residues. Moreover, we demonstrated that PC2 will preferentially assemble with PC1 to form heteromeric complexes when PC1 is co‐expressed ...
Tobias Staudner +7 more
wiley +1 more source
The Journal of Computer-Aided Molecular Design: a bibliometric note [PDF]
, 2011 Summarizes the articles in, and the citations to, volumes 2-24 of the Journal of Computer-Aided Molecular Design. The citations to the journal come from almost 2000 different sources that span a very wide range of academic subjects, with the most heavily
Willett, P.
core +2 more sources
A Statistical Mechanical Approach to Combinatorial Chemistry [PDF]
arXiv, 2000 An analogy between combinatorial chemistry and Monte Carlo computer simulation is pursued. Examples of how to design libraries for both materials discovery and protein molecular evolution are given. For materials discovery, the concept of library redesign, or the use previous experiments to guide the design of new experiments, is introduced.
arxiv
Molecular Oncology, EarlyView.Urine is a rich source of biomarkers for cancer detection. Tumor‐derived material is released into the bloodstream and transported to the urine. Urine can easily be collected from individuals, allowing non‐invasive cancer detection. This review discusses the rationale behind urine‐based cancer detection and its potential for cancer diagnostics ...
Birgit M. M. Wever +1 more
wiley +1 more source
Combinatorial Space Tiling [PDF]
, 2010 The present article studies combinatorial tilings of Euclidean or spherical spaces by polytopes, serving two main purposes: first, to survey some of the main developments in combinatorial space tiling; and second, to highlight some new and some old open ...
Schulte, Egon
core
Multiobjective strategies for New Product Development in the pharmaceutical industry [PDF]
, 2012 New Product Development (NPD) constitutes a challenging problem in the pharmaceutical industry, due to the characteristics of the development pipeline.
Azzaro-Pantel, Catherine +2 more
core +2 more sources
A Comparison Of Two Methods For Random Labelling of Balls by Vectors of Integers [PDF]
Advances in Combinatorial Methods and Applications to Statistics,
N. Balakrishnan, ed., Birkhauser, 1997 (Mohanty Festschrift], 1998 A combinatorial problem that came up in Combinatorial Chemistry is solved.
arxiv
Molecular Oncology, EarlyView.Cancer‐associated fibroblasts (CAFs) promote cancer growth, invasion (metastasis), and drug resistance. Here, we identified functional and diverse circulating CAFs (cCAFs) in patients with metastatic prostate cancer (mPCa). cCAFs were found in higher numbers and were functional and diverse in mPCa patients versus healthy individuals, suggesting their ...
Richell Booijink +6 more
wiley +1 more source