Year |
Citation |
Score |
2014 |
Natesan S, Lukacova V, Peng M, Subramaniam R, Lynch S, Wang Z, Tandlich R, Balaz S. Structure-based prediction of drug distribution across the headgroup and core strata of a phospholipid bilayer using surrogate phases. Molecular Pharmaceutics. 11: 3577-95. PMID 25179490 DOI: 10.1021/Mp5003366 |
0.746 |
|
2013 |
Lukacova V, Natesan S, Peng M, Tandlich R, Wang Z, Lynch S, Subramaniam R, Balaz S. Structural determinants of drug partitioning in surrogates of phosphatidylcholine bilayer strata. Molecular Pharmaceutics. 10: 3684-96. PMID 23964749 DOI: 10.1021/Mp400204Y |
0.764 |
|
2013 |
Natesan S, Wang Z, Lukacova V, Peng M, Subramaniam R, Lynch S, Balaz S. Structural determinants of drug partitioning in n-hexadecane/water system. Journal of Chemical Information and Modeling. 53: 1424-35. PMID 23641957 DOI: 10.1021/Ci400112K |
0.696 |
|
2012 |
Natesan S, Wang T, Lukacova V, Bartus V, Khandelwal A, Subramaniam R, Balaz S. Cellular quantitative structure-activity relationship (Cell-QSAR): conceptual dissection of receptor binding and intracellular disposition in antifilarial activities of Selwood antimycins. Journal of Medicinal Chemistry. 55: 3699-712. PMID 22468611 DOI: 10.1021/Jm201371Y |
0.728 |
|
2011 |
Natesan S, Wang T, Lukacova V, Bartus V, Khandelwal A, Balaz S. Rigorous treatment of multispecies multimode ligand-receptor interactions in 3D-QSAR: CoMFA analysis of thyroxine analogs binding to transthyretin. Journal of Chemical Information and Modeling. 51: 1132-50. PMID 21476521 DOI: 10.1021/Ci200055S |
0.733 |
|
2008 |
Zhang Y, Lukacova V, Bartus V, Nie X, Sun G, Manivannan E, Ghorpade SR, Jin X, Manyem S, Sibi MP, Cook GR, Balaz S. Binding of matrix metalloproteinase inhibitors to extracellular matrix: 3D-QSAR analysis. Chemical Biology & Drug Design. 72: 237-48. PMID 18844670 DOI: 10.1111/J.1747-0285.2008.00710.X |
0.711 |
|
2007 |
Zhang Y, Lukacova V, Bartus V, Balaz S. Structural determinants of binding of aromates to extracellular matrix: a multi-species multi-mode CoMFA study. Chemical Research in Toxicology. 20: 11-9. PMID 17226922 DOI: 10.1021/Tx060188L |
0.738 |
|
2007 |
Lukacova V, Peng M, Fanucci G, Tandlich R, Hinderliter A, Maity B, Manivannan E, Cook GR, Balaz S. Drug-membrane interactions studied in phospholipid monolayers adsorbed on nonporous alkylated microspheres. Journal of Biomolecular Screening. 12: 186-202. PMID 17218665 DOI: 10.1177/1087057106297063 |
0.74 |
|
2006 |
Zhang Y, Lukacova V, Reindl K, Balaz S. Quantitative characterization of binding of small molecules to extracellular matrix. Journal of Biochemical and Biophysical Methods. 67: 107-22. PMID 16516301 DOI: 10.1016/J.Jbbm.2006.01.007 |
0.696 |
|
2006 |
Lukacova V, Peng M, Tandlich R, Hinderliter A, Balaz S. Partitioning of organic compounds in phases imitating the headgroup and core regions of phospholipid bilayers. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 1869-74. PMID 16460120 DOI: 10.1021/La052187J |
0.742 |
|
2005 |
Khandelwal A, Lukacova V, Kroll DM, Raha S, Comez D, Balaz S. Processing multimode binding situations in simulation-based prediction of ligand-macromolecule affinities. The Journal of Physical Chemistry. A. 109: 6387-91. PMID 16833982 DOI: 10.1021/Jp051105X |
0.744 |
|
2005 |
Khandelwal A, Lukacova V, Comez D, Kroll DM, Raha S, Balaz S. A combination of docking, QM/MM methods, and MD simulation for binding affinity estimation of metalloprotein ligands. Journal of Medicinal Chemistry. 48: 5437-47. PMID 16107143 DOI: 10.1021/Jm049050V |
0.751 |
|
2005 |
Lukacova V, Zhang Y, Kroll DM, Raha S, Comez D, Balaz S. A comparison of the binding sites of matrix metalloproteinases and tumor necrosis factor-alpha converting enzyme: implications for selectivity. Journal of Medicinal Chemistry. 48: 2361-70. PMID 15801829 DOI: 10.1021/Jm0491703 |
0.677 |
|
2004 |
Cook GR, Manivannan E, Underdahl T, Lukacova V, Zhang Y, Balaz S. Synthesis and evaluation of novel oxazoline MMP inhibitors. Bioorganic & Medicinal Chemistry Letters. 14: 4935-9. PMID 15341955 DOI: 10.1016/J.Bmcl.2004.07.023 |
0.633 |
|
2004 |
Lukacova V, Zhang Y, Mackov M, Baricic P, Raha S, Calvo JA, Balaz S. Similarity of binding sites of human matrix metalloproteinases. The Journal of Biological Chemistry. 279: 14194-200. PMID 14732707 DOI: 10.1074/Jbc.M313474200 |
0.681 |
|
2004 |
Khandelwal A, Lukacova V, Kroll DM, Çömez D, Raha S, Balaz S. Simulation-based predictions of binding affinities of matrix metalloproteinase inhibitors Qsar and Combinatorial Science. 23: 754-766. DOI: 10.1002/Qsar.200430896 |
0.763 |
|
2003 |
Lukacova V, Balaz S. Multimode ligand binding in receptor site modeling: implementation in CoMFA. Journal of Chemical Information and Computer Sciences. 43: 2093-105. PMID 14632461 DOI: 10.1021/Ci034100A |
0.686 |
|
2002 |
Balaz S, Lukacova V. Subcellular pharmacokinetics and its potential for library focusing. Journal of Molecular Graphics & Modelling. 20: 479-90. PMID 12071282 DOI: 10.1016/S1093-3263(01)00149-8 |
0.676 |
|
1999 |
Baláž Š, Lukáčová V. A Model-based Dependence of the Human Tissue/Blood Partition Coefficients of Chemicals on Lipophilicity and Tissue Composition Quantitative Structure-Activity Relationships. 18: 361-368. DOI: 10.1002/(Sici)1521-3838(199910)18:4<361::Aid-Qsar361>3.0.Co;2-A |
0.362 |
|
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