Khandelwal A., Balaz S.:
QM/MM Linear Response method distinguishes ligand binding affinities for
closely related metalloproteins. Proteins: Structure, Function, and
Bioinformatics (accepted,
online: July 2, 2007, DOI: 10.1002/prot.21500).
Khandelwal A., Balaz, S.:
Improved estimation of ligand-macromolecule binding affinities by a
Linear Response approach using a combination of multi-mode MD simulation
and QM-MM methods. Journal of Computer-Aided Molecular Design 21
(2007) 131-137.
Lukacova V., Peng M.,
Fanucci G., Tandlich R., Hinderliter A., Maity B., Mannivanan E., Cook
G. R., Balaz S.: Drug-membrane interactions studied in phospholipid
monolayers adsorbed on nonporous alkylated microspheres. Journal of
Biomolecular Screening 12 (2007) 186-202.
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 (2007) 11-19.
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 (2006) 107-122.
Lukacova V.,
Peng M., Tandlich R., Hinderliter A., and Balaz S.: Partitioning of
organic compounds in phases imitating headgroup and core regions of
phospholipid bilayers. Langmuir 22 (2006) 1869-1874.
Khandelwal A., Lukacova V., Comez D., Kroll D. M., 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 (2005) 5437-5447.
Khandelwal A., Lukacova V., Kroll D. M., Raha S., Comez D., Balaz S.: Processing multi-mode binding situations in simulation-based prediction of ligand-macromolecule affinities.
Journal of Physical Chemistry A 109 (2005)
6387-6391.
Lukacova V., Zhang Y., Kroll D. M., Raha S., Comez D., Balaz S.: A comparison of the binding sites of matrix metalloproteinases and tumor necrosis
factor-a converting enzyme: Implications for selectivity.
Journal of Medicinal Chemistry 48 (2005) 2361-2370.
Khandelwal A., Lukacova V., Kroll D. M., Comez D., Raha S., Balaz S.: Simulation-based prediction of binding affinities of matrix metalloproteinase inhibitors.
QSAR and Combinatorial Science 23 (2004) 754-766.
Lukacova V., Zhang Y., Mackov M., Baricic P., Raha S., Calvo
J.A., Balaz S.: Similarity of binding sites of human matrix metalloproteinases.
Journal of Biological Chemistry 279 (2004) 14194-14200.
Hu X., Balaz S., Shelver W.H.: An improved approach to docking of ligands to zinc metalloproteinases.
Journal of Molecular Graphics and Modeling 22 (2004) 293-307.
Lukacova V., Balaz S.: Multi-mode ligand binding in receptor site modeling: Implementation in CoMFA.
Journal of Chemical Information and Computer Science 43 (2003) 2093-2105.
Maliar T. Balaz S., Tandlich R., Sturdik E.: Viral proteinases - possible targets of antiviral drugs,
Acta Virologica 46 (2002) 31-40.
Balaz S., Lukacova V.: Subcellular pharmacokinetics and its potential in library focusing.
Journal of Molecular Graphics and Modeling 20 (2002) 479-490.
Balaz S.: Subcellular Pharmacokinetics: One-compartment model.
American Journal of Pharmaceutical Education 66 (2002), 66-71.
Balaz S.: Lipophilicity in trans-bilayer transport and subcellular pharmacokinetics.
Perspectives in Drug Discovery and Design 19 (2000) 157-177.
Balaz S., Lukacova V.: A model-based dependence of the human blood/tissue partition coefficients of chemicals on lipophilicity and tissue composition.
Quantitative Structure-Activity Relationships 18 (1999) 361-368.
