Fragment-based
Fast, efficient fragment-based coordinate generation for Open Babel
... of fragment-based placement with improved geometric and stereochemical ...above, fragment methods face challenges on less common, macrocyclic, or systems with overlapping ...
9
The application of the fragment based screening approach to RmlA protein and PA1645 structure
... P. aerguinosa is a serious human bacterial pathogen. This thesis describes attempts to use structural biology to identify new starting points for drugs against P. aerguinosa .A number of fragment-based ...
267
Optimization of Fragment based Mining through Genetic Algorithm
... in fragment based association mining using genetic ...Genetic based Fragment Rule ...a Fragment mining is used to generate the rules on which we use the optimization ...using ...
6
Identification of diverse database subsets using property-based and fragment-based molecular descriptions
... 2D fragment bit-strings used in the Barnard Chemical Information (hereafter BCI) software [22-24]: in what follows, we shall refer to these as property-based (PB) and fragment-based (FB) ...
12
New approach for Effective Query Recommendation: Context Aware Fragment Based Method
... history based approach, current state approach, or external source ...History based approach uses user search ...recommendation based on the user ...Tuple based exploration and fragment ...
7
Lipopeptides for the Fragment Based Pharmaceutics Design
... New fragment-based lipopeptide building blocks were de- signed, synthesized and characterized. The lipid-modified peptidic amphiphiles were capable of forming a supra- molecular assemblies bound by weak ...
7
Using fragment-based approaches to discover new antibiotics
... The fragment was found to bind near the bottom of the binding cavity, making the critical hydrogen bond to N179 with its sulfonamide ...group. Based on this binding mode, a set of 61 × 16 combinations of ...
17
Using fragment-based approaches to discover new antibiotics
... Furthermore, fragment screens can efficiently offer insights into viable alternative chemical space, as shown by the model3guided replacement of the carboxylate of 24 by a tetrazole moiety, yielding 26 that ...
43
Disjoint combinations profiling (DCP): a new method for the prediction of antibody CDR conformation from sequence
... or fragment-based approach for predicting novel conformations, it is suggested that the strictly sequence-based methods examined here fully retain their innate advantages in prediction time, input ...
37
The nature of ligand efficiency
... actually based on two ...a fragment that has been observed to bind to a target may be a better starting point for design than a higher affin- ity ligand whose greater molecular complexity prevents it from ...
18
Novel densitometric method for endonuclease analysis of Escherichia coli DNA samples containing multiple plasmids
... The molecular weight of each digested fragment based on the scanning graph was estimated, and then the theoretical concentration ratio of each fragment was calculated based on the assump[r] ...
6
A File Fragment Classification Method Based on Grayscale Image
... It can be seen from confusion matrixes in figure 5 and figure 6 that the method proposed in this paper performs nearly perfectly in some types such as TTF and XBM. Generally speaking, the classifier here performs better ...
8
TOTAL SYNTHESIS OF PACHASTRISSAMINE, C10-C24 FRAGMENT OF (+)-CANNABISATIVINE AND ASYMMETRIC MICHAEL REACTIONS USING PROLINE BASED ORGANOCATALYST
... (+)-Cannabisativine 1 is a macrocyclic spermidine alkaloid containing a trans-2,6- disubstituted-1,2,5,6-tetrahydropyridine ring annulated to a 13-membered lactam ring. This was the first reported nonquaternary alkaloid ...
17
Synthesis of a New Lopinavir Phosphinic Analog as HIV 1 Inhibitor
... PL1 was synthesized according to the series of reactions shown in Scheme 4, started from the assembly of the precursor for fragment c (2-nitroallyl) benzene (10) with fragment a (7a) through Michael ...
6
Genetic Diversity of Mycobacterium africanum Clinical Isolates Based on IS6110 Restriction Fragment Length Polymorphism Analysis, Spoligotyping, and Variable Number of Tandem DNA Repeats
... was based on IS6110-restriction fragment length polymorphism (IS6110- RFLP) analysis, IS1081-RFLP analysis, direct repeat-based spacer oligonucleotide typing (spoligotyping), variable number of ...
9
Estimation of recombination frequencies and construction of RFLP linkage maps in plants from crosses between heterozygous parents.
... The construction of a restriction fragment length polymorphism (RFLP) linkage map is based on the estimation of recombination frequencies between genetic loci and on the [r] ...
10
Immunobiology of Fibrinogen EMERGENCE OF NEOANTIGENIC EXPRESSIONS DURING PHYSIOLOGIC CLEAVAGE IN VITRO AND IN VIVO
... D- fragment region of the molecule, is exposed in vitro and can be recognized by competitive inhibition radioimmunoassay with specific ...E- fragment. The X-fragment contains two D regions in respect ...
11
Stability profiling of anti malarial drug piperaquine phosphate and impurities by HPLC UV, TOF MS, ESI MS and NMR
... ((Q)SAR), based on the concept that chemical structure determines the bio- logical activity of a molecule, are employed as scientific- ally credible tools for predicting the acute toxicity of chemicals relevant to ...
12
Ontology based data access with a horn fragment of metric temporal logic
... OBDA Ontology-based data access (Poggi et al. 2008) of- fers a different workflow that excludes the IT middleman. Domain experts develop an ontology providing definitions of the terms the engineers may be ...
8