FERM3D: A finite element R-matrix electron molecule scattering code [PDF]
, 2006 FERM3D is a three-dimensional finite element program, for the elastic scattering of a low energy electron from a general polyatomic molecule, which is converted to a potential scattering problem.
Allan +35 more
core +2 more sources
Cells, 2022 Design and generation of high-quality target- and scaffold-specific small molecules is an important strategy for the discovery of unique and potent bioactive drug molecules.
Yuemin Bian, Xiang-Qun Xie
doaj +1 more source
Similarity-based data mining in files of two-dimensional chemical structures using fingerprint measures of molecular resemblance [PDF]
, 2011 This paper reviews the use of measures of intermolecular similarity for processing databases of chemical structures, which play an important role in the discovery of new drugs by the pharmaceutical industry.
Willett, P.
core +1 more source
Capturing the ‘ome’ : the expanding molecular toolbox for RNA and DNA library construction [PDF]
, 2018 All sequencing experiments and most functional genomics screens rely on the generation of libraries to comprehensively capture pools of targeted sequences.
Boone, Morgane +2 more
core +2 more sources
Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis [PDF]
, 2003 This paper reviews the work of the Chemoinformatics Research Group in the Department of Information Studies at the University of Sheffield, focusing particularly on the work carried out in the period 1985-2002.
Bishop, N. +3 more
core +1 more source
Small Molecule Library Synthesis Using Segmented Flow
Molecules, 2011 Flow chemistry has gained considerable recognition as a simple, efficient, and safe technology for the synthesis of many types of organic and inorganic molecules ranging in scope from large complex natural products to silicon nanoparticles. In this paper we describe a method that adapts flow chemistry to the synthesis of libraries of compounds using a ...
Christina M. Thompson +4 more
openaire +3 more sources
Dynamic Combinatorial Libraries: From Exploring Molecular Recognition to Systems Chemistry [PDF]
, 2013 Dynamic combinatorial chemistry (DCC) is a subset of combinatorial chemistry where the library members interconvert continuously by exchanging building blocks with each other.
Li, Jianwei, +2 more
core +2 more sources
An ultra high-throughput, whole-animal screen for small molecule modulators of a specific genetic pathway in Caenorhabditis elegans. [PDF]
PLoS ONE, 2013 High-throughput screening (HTS) is a powerful approach to drug discovery, but many lead compounds are found to be unsuitable for use in vivo after initial screening. Screening in small animals like C.
Chi K Leung +6 more
doaj +1 more source
Identification of New Drug Candidates Against \u3cem\u3eBorrelia burgdorferi\u3c/em\u3e Using High-Throughput Screening [PDF]
, 2016 Lyme disease is the most common zoonotic bacterial disease in North America. It is estimated that .300,000 cases per annum are reported in USA alone. A total of 10%–20% of patients who have been treated with antibiotic therapy report the recrudescence of
Babar, Mustafeez Mujtaba +9 more
core +3 more sources
Fragment‐based drug discovery—the importance of high‐quality molecule libraries
Molecular Oncology, 2022 Fragment‐based drug discovery (FBDD) is now established as a complementary approach to high‐throughput screening (HTS). Contrary to HTS, where large libraries of drug‐like molecules are screened, FBDD screens involve smaller and less complex molecules ...
M. Bon +3 more
semanticscholar +1 more source