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Ly Le, Ph.D. - Publications

Affiliations: 
2011 Chemistry University of Utah, Salt Lake City, UT 
Area:
Synthetic Organic Chemistry
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21 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Le KP, Do PC, Amaro RE, Le L. Molecular Docking of Broad-Spectrum Antibodies on Hemagglutinins of Influenza A Virus. Evolutionary Bioinformatics Online. 15: 1176934319876938. PMID 31555044 DOI: 10.1177/1176934319876938  0.321
2019 Lee EH, Chen C, Le L. Abstract 3396: Structural modeling and functional characterization of caspase inhibitor and tumor oncogene survivin 2B isoform: Implications in ligand binding and targeted drug design Cancer Research. 79: 3396-3396. DOI: 10.1158/1538-7445.Am2019-3396  0.34
2016 Nguyen Vo TH, Tran N, Nguyen D, Le L. An in silico study on antidiabetic activity of bioactive compounds in Euphorbia thymifolia Linn. Springerplus. 5: 1359. PMID 27588252 DOI: 10.1186/S40064-016-2631-5  0.329
2015 Nguyen H, Tran T, Fukunishi Y, Higo J, Nakamura H, Le L. Computational Study of Drug Binding Affinity to Influenza A Neuraminidase Using Smooth Reaction Path Generation (SRPG) Method. Journal of Chemical Information and Modeling. 55: 1936-43. PMID 26247106 DOI: 10.1021/Acs.Jcim.5B00319  0.397
2015 Nguyen H, Le L. Steered molecular dynamics approach for promising drugs for influenza A virus targeting M2 channel proteins. European Biophysics Journal : Ebj. 44: 447-55. PMID 26033540 DOI: 10.1007/S00249-015-1047-4  0.387
2015 Tran N, Van T, Nguyen H, Le L. Identification of novel compounds against an R294K substitution of influenza A (H7N9) virus using ensemble based drug virtual screening. International Journal of Medical Sciences. 12: 163-76. PMID 25589893 DOI: 10.7150/Ijms.10826  0.412
2014 Nguyen XT, Le L. Suggestion of suitable animal models for in vivo studies of protein tyrosine phosphatase 1b (PTP1B) inhibitors using computational approaches. Springerplus. 3: 380. PMID 25133088 DOI: 10.1186/2193-1801-3-380  0.347
2014 Tran L, Le L. Recent progress and challenges in the computer-aided design of inhibitors for influenza A M2 channel proteins Medicinal Chemistry Research. 23: 3607-3616. DOI: 10.1007/S00044-014-0964-6  0.35
2014 Trinh Q, Le L. An investigation of antidiabetic activities of bioactive compounds in Euphorbia hirta Linn using molecular docking and pharmacophore Medicinal Chemistry Research. 23: 2033-2045. DOI: 10.1007/S00044-013-0794-Y  0.306
2013 Tran DT, Le LT, Truong TN. Discover binding pathways using the sliding binding-box docking approach: application to binding pathways of oseltamivir to avian influenza H5N1 neuraminidase. Journal of Computer-Aided Molecular Design. 27: 689-95. PMID 23979194 DOI: 10.1007/S10822-013-9675-1  0.508
2013 Tran N, Tran L, Le L. Strategy in structure-based drug design for influenza A virus targeting M2 channel proteins Medicinal Chemistry Research. 22: 6078-6088. DOI: 10.1007/S00044-013-0599-Z  0.374
2011 Tran L, Choi SB, Al-Najjar BO, Yusuf M, Wahab HA, Le L. Discovery of potential M2 channel inhibitors based on the amantadine scaffold via virtual screening and pharmacophore modeling. Molecules (Basel, Switzerland). 16: 10227-55. PMID 22158591 DOI: 10.3390/Molecules161210227  0.353
2011 Le L, Leluk J. Study on phylogenetic relationships, variability, and correlated mutations in M2 proteins of influenza virus A. Plos One. 6: e22970. PMID 21829678 DOI: 10.1371/Journal.Pone.0022970  0.328
2011 Murumkar PR, Le L, Truong TN, Yadav MR. Determination of structural requirements of influenza neuraminidase type A inhibitors and binding interaction analysis with the active site of A/H1N1 by 3D-QSAR CoMFA and CoMSIA modeling Medchemcomm. 2: 710-719. DOI: 10.1039/C1Md00050K  0.52
2010 Le L, Lee EH, Hardy DJ, Truong TN, Schulten K. Molecular dynamics simulations suggest that electrostatic funnel directs binding of Tamiflu to influenza N1 neuraminidases. Plos Computational Biology. 6. PMID 20885781 DOI: 10.1371/Journal.Pcbi.1000939  0.551
2010 Freedman H, Huynh LP, Le L, Cheatham TE, Tuszynski JA, Truong TN. Explicitly solvated ligand contribution to continuum solvation models for binding free energies: selectivity of theophylline binding to an RNA aptamer. The Journal of Physical Chemistry. B. 114: 2227-37. PMID 20099932 DOI: 10.1021/Jp9059664  0.529
2009 Nguyen H, Le L, Truong TN. Top-hits for H1N1pdm Identified by Virtual Screening Using Ensemble-based Docking. Plos Currents. 3: RRN1030. PMID 20029612 DOI: 10.1371/Currents.Rrn1030  0.559
2009 Le L, Lee E, Schulten K, Truong TN. Molecular modeling of swine influenza A/H1N1, Spanish H1N1, and avian H5N1 flu N1 neuraminidases bound to Tamiflu and Relenza. Plos Currents. 1: RRN1015. PMID 20029609 DOI: 10.1371/Currents.Rrn1015  0.563
2008 Freedman H, Le L, Tuszynski JA, Truong TN. Improving the performance of the coupled reference interaction site model-hyper-netted chain (RISM-HNC)/simulation method for free energy of solvation. The Journal of Physical Chemistry. B. 112: 2340-8. PMID 18251537 DOI: 10.1021/Jp077179L  0.499
2005 Pratt LM, Lê LT, Truong TN. A computational study of mixed aggregates of chloromethyllithium with lithium dialkylamides. The Journal of Organic Chemistry. 70: 8298-302. PMID 16209570 DOI: 10.1021/jo051031l  0.391
2005 Borges CR, Taccogno J, Crouch DJ, Le L, Truong TN. Structure and mechanism of formation of an important ion in doping control International Journal of Mass Spectrometry. 247: 48-54. DOI: 10.1016/J.Ijms.2005.08.013  0.446
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