Virtual screening

Results: 226



#Item
31Bioinformatics / Molecular modelling / Drug discovery / Cell signaling / Protein structure / Docking / Virtual screening / Ligand / Protein kinase / Biology / Chemistry / Science

Lead‐Finder  Software for Drug Discovery    Lead‐Finder software is an integrated solution for simulating  structure and affinity of protein‐ligand complexes. The  software combines automatic

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Source URL: www.moltech.ru

Language: English - Date: 2011-05-14 03:12:33
32Biology / Beta-lactam antibiotics / Drug discovery / Cheminformatics / Bioinformatics / Beta-lactamase / New Delhi metallo-beta-lactamase 1 / Virtual screening / Carbapenem / Chemistry / Science / Medicinal chemistry

Working groups supported by JPIAMR Structure-guided design of pan inhibitors of metallo-p-lactamases The fight against infectious diseases is one of the greatest public health challenges, especially with the emergence o

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Source URL: www.jpiamr.eu

Language: English - Date: 2015-04-17 05:14:31
33Bioinformatics / Molecular modelling / Drug discovery / Protein structure / Computational chemistry / Docking / Lead Finder / Virtual screening / Finder / Chemistry / Science / Biology

In relentless pursuit of accuracy Lead Finder vUser Guide

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Source URL: www.moltech.ru

Language: English - Date: 2015-02-03 11:30:33
34Bioinformatics / Computational chemistry / Protein structure / Drug discovery / Docking / Root-mean-square deviation / DOCK / Virtual screening / Protein–ligand docking / Chemistry / Science / Molecular modelling

MoDock: A multi-objective strategy improves the accuracy for molecular docking

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Source URL: www.almob.org

Language: English
35Statistical classification / Clinical research / Pharmaceutical industry / Bioinformatics / High-throughput screening / In silico / Receiver operating characteristic / Virtual screening / K-nearest neighbor algorithm / Statistics / Science / Drug discovery

Performing Fast and Accurate virtual High-Throughput Screening Institute for Genomics and Bioinformatics Bren School of Information and Computer Sciences Chloé-Agathe Azencott, S. Joshua Swamidass, and Pierre Baldi

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Source URL: cazencott.info

Language: English - Date: 2014-12-14 10:15:39
36Cheminformatics / Medicinal chemistry / Drug discovery / Chemical bonding / Bioinformatics / Virtual screening / Ligand / Hercules / Pharmacophore / Chemistry / Pharmaceutical sciences / Science

Microsoft Word - Hercules_leaflet_v6.doc

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Source URL: intelligentpharma.com

Language: English - Date: 2014-11-20 04:45:53
37Gastrointestinal cancer / Colonoscopy / Polyp / Colorectal cancer / Cancer screening / Colorectal polyp / Cancer / Virtual colonoscopy / Medicine / Colon / Endoscopy

PDF Document

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Source URL: portal.arbenefits.org

Language: English - Date: 2015-05-06 10:56:29
38Drug discovery / Stereochemistry / Physical organic chemistry / Isomerism / Conformational isomerism / Pharmacophore / Virtual screening / PubChem / Chemical bond / Chemistry / Science / Cheminformatics

Bolton et al. Journal of Cheminformatics 2011, 3:13 http://www.jcheminf.com/contentRESEARCH ARTICLE Open Access

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Source URL: www.jcheminf.com

Language: English
39Biology / Drug discovery / Medicinal chemistry / Cheminformatics / Protein structure / Docking / Virtual screening / Markov random field / Ligand / Chemistry / Science / Bioinformatics

Microsoft Word - Keystone_2006_Klebansky_Probabalistic_Abstract.doc

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Source URL: www.biopredict.com

Language: English - Date: 2006-11-28 17:37:12
40Cheminformatics / Drug discovery / Bioinformatics / Pharmacophore / Docking / Ligand / LigandScout / Virtual screening / Chemistry / Medicinal chemistry / Science

Microsoft Word - abstract_Klebansky_talk_SF_ACS_fall_2006.doc

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Source URL: www.biopredict.com

Language: English - Date: 2006-11-28 17:35:46
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