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BMC Bioinformatics, ISSN 1471-2105, 10/2015, Volume 16, Issue 15
Journal Article
JOURNAL OF PHYSICAL CHEMISTRY B, ISSN 1520-6106, 06/2019, Volume 123, Issue 25, pp. 5189 - 5195
Ensemble docking in drug discovery or chemical biology uses dynamical simulations of target proteins to generate binding site conformations for docking... 
CHEMISTRY, PHYSICAL | INSERTION
Journal Article
BMC Bioinformatics, ISSN 1471-2105, 10/2015, Volume 16, Issue 15
Journal Article
Journal of Computational Chemistry, ISSN 0192-8651, 09/2013, Volume 34, Issue 25, pp. 2212 - 2221
Journal Article
Molecular Simulation, ISSN 0892-7022, 01/2014, Volume 40, Issue 10-11, pp. 848 - 854
Polypharmacology, the ability of drugs to interact with multiple targets, is a fundamental concept of interest to the pharmaceutical industry in its efforts to... 
Productivity | Drugs | Screening | Side effects | Computer simulation | Docking | Markets | Pharmaceuticals
Journal Article
AMIA Joint Summits on Translational Science proceedings. AMIA Joint Summits on Translational Science, ISSN 2153-4063, 2018, Volume 2017, p. 26
Drug discovery is an expensive, lengthy, and sometimes dangerous process. The ability to make accurate computational predictions of drug binding would greatly... 
Journal Article
Procedia Computer Science, ISSN 1877-0509, 2016, Volume 80, pp. 1023 - 1032
In this paper, we describe some available high-confident call sets that have been developed to test the accuracy of called single nucleotide polymorphisms... 
genomic analysis pipeline | High-performance computing | Next-generation sequencing | Genomic analysis pipeline
Journal Article
AMIA Joint Summits on Translational Science proceedings. AMIA Joint Summits on Translational Science, ISSN 2153-4063, 2018, Volume 2017, p. 98
Protein kinases generate nearly a thousand different protein products and regulate the majority of cellular pathways and signal transduction. It is therefore... 
Journal Article
RNA, ISSN 1355-8382, 01/2012, Volume 18, Issue 3, pp. 368 - 384
The sequence elements that mediate post-transcriptional gene regulation often reside in the 5' and 3' untranslated regions (UTRs) of mRNAs. Using six different... 
Journal Article
BMC Bioinformatics, ISSN 1471-2105, 07/2010, Volume 11, Issue S4, pp. P24 - P24
Journal Article
Concurrency and Computation: Practice and Experience, ISSN 1532-0626, 04/2014, Volume 26, Issue 6, pp. 1268 - 1277
In this paper, we give the current state of high‐throughput virtual screening. We describe a case study of using a task‐parallel Message Passing Interface... 
MATHEMATICS AND COMPUTING | Computer Science
Journal Article
Procedia Computer Science, ISSN 1877-0509, 2017, Volume 108, pp. 1222 - 1231
In this work we have developed a multi-tiered computational platform to study protein-drug interactions. At the beginning of the workflow more efficient and... 
Journal Article
Journal Article
F1000Research, ISSN 2046-1402, 2016, Volume 5, p. 1889
This paper provides details on the necessary steps to assess and control data in genome wide association studies (GWAS) using genotype information on a large... 
Bioinformatics | Genomics
Journal Article
Journal of Neuropathology & Experimental Neurology, ISSN 0022-3069, 01/2015, Volume 74, Issue 1, pp. 75 - 84
Journal Article
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