How many leads from hts

Predictive models for anti-tubercular molecules using machine learning on high-throughput biological screening datasets. Higher order alchemical derivatives from coupled perturbed self-consistent field theory. State-of-the-art and dissemination of computational tools for drug-design purposes: a survey among Italian academics and industrial institutions. Triggers and cues that activate antibiotic production by actinomycetes. Nature's bounty - drug discovery from the sea. Virtual screening of chemical libraries for drug discovery.

QSAR of phytochemicals for the design of better drugs. The future of plant drug discovery. Characterization of gas-liquid mass transfer phenomena in microtiter plates. The current state of drug discovery and a potential role for NMR metabolomics. Combinatorial chemistry in the agrosciences. Predicting protein-ligand binding affinities: a low scoring game? Review article: mitogen-activated protein kinases in chronic intestinal inflammation - targeting ancient pathways to treat modern diseases.

In silico screening for non-nucleoside HIV-1 reverse transcriptase inhibitors using physicochemical filters and high-throughput docking followed by in vitro evaluation. Combining docking and molecular dynamic simulations in drug design. Lessons learnt from assembling screening libraries for drug discovery for neglected diseases. Docking, virtual high throughput screening and in silico fragment-based drug design.

In silico pharmacology for drug discovery: methods for virtual ligand screening and profiling. WinDock: structure-based drug discovery on Windows-based PCs. Fundamental problems lie ahead in the drug discovery and commercialization process: restructuring of the pharmaceutical industry and an improved partnership with academia are required. Lead identification in post-genomics: computers as a complementary alternative.

Ligand efficiency: a useful metric for lead selection. Virtual ligand screening: strategies, perspectives and limitations. Automated medicinal chemistry. Comprehensive evaluation of ten docking programs on a diverse set of protein-ligand complexes: the prediction accuracy of sampling power and scoring power.

Virtual screening: an in silico tool for interlacing the chemical universe with the proteome. Rapid activity prediction of HIV-1 integrase inhibitors: harnessing docking energetic components for empirical scoring by chemometric and artificial neural network approaches. A one-pot method to enhance dissolution rate of low solubility drug molecules using dispersion polymerization in supercritical carbon dioxide.

Further comparison of primary hit identification by different assay technologies and effects of assay measurement variability. Chem Biol Drug Des , 91 2 , 03 Nov Free to read. Drug Discov Today , 22 2 , 25 Nov Cited by: 60 articles PMID: Cited by: 1 article PMID: To arrive at the top five similar articles we use a word-weighted algorithm to compare words from the Title and Abstract of each citation.

J Biomol Screen , 11 7 , 14 Sep Cited by: 62 articles PMID: J Trauma , 42 4 ; discussion , 01 Apr Cited by: articles PMID: Curr Top Med Chem , 9 13 , 01 Jan Review Free to read. Assay Drug Dev Technol , 13 1 , 01 Jan Contact us. Europe PMC requires Javascript to function effectively. Recent Activity. Search life-sciences literature Over 39 million articles, preprints and more Search Advanced search. Abstract Available from publisher site using DOI. A subscription may be required.

Babbage, N mes, France. Search articles by 'Lahana R'. Lahana R 1. Virtual ligand screening: strategies, perspectives and limitations. A kinase-focused compound collection: compilation and screening strategy. Distributed Drug Discovery, Part 1: linking academia and combinatorial chemistry to find drug leads for developing world diseases. Similarity searching and scaffold hopping in synthetically accessible combinatorial chemistry spaces.

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Evolution of Pluripotency Pluripotency refers to the ability of a cell to develop into three primary germ cell layers of the embryo. Position Effect Variegation Position Effect Variagation occurs when a gene is inactivated due to its positioning near heterochromatic regions within a chromosome.

Microbicide Microbicides are products that can be applied to vaginal or rectal mucosal surfaces with the goal of preventing, or at least significantly reducing, the transmission of sexually transmitted infections. Related Papers. How many leads from HTS? R Lahana. Gaussian mapping of chemical fragments in ligand binding sites opens in new tab.

Journal of Computer-aided Molecular Design. Kun Wang Angel R Ortiz.