Resultados da pesquisa por Autor

1

Modeling Kinetics of Subcellular Disposition of Chemicals

Modeling Kinetics of Subcellular Disposition of Chemicals

Por Balaz, Stefan
Publicado em 2009

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2

Does transbilayer diffusion have a role in membrane transport of drugs?

Does transbilayer diffusion have a role in membrane transport of drugs?

Por Balaz, Stefan
Publicado em 2012

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3

Response to “Comment on ‘Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata’”

Response to “Comment on ‘Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata’”

Por Balaz, Stefan
Publicado no Mol Pharm (2015)

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4

Improved estimation of ligand-macromolecule binding affinities by Linear Response approach using a combination of multi-mode MD simulation and QM/MM Methods

Improved estimation of ligand-macromolecule binding affinities by Linear Response approach using a combination of multi-mode MD simulation and QM/MM Methods

Por Khandelwal, Akash, Balaz, Stefan
Publicado em 2007

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5

QM/MM Linear Response method distinguishes ligand affinities for closely related metalloproteins

QM/MM Linear Response method distinguishes ligand affinities for closely related metalloproteins

Por Khandelwal, Akash, Balaz, Stefan
Publicado em 2007

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6

Rigorous Incorporation of Tautomers, Ionization Species, and Different Binding Modes into Ligand-Based and Receptor-Based 3D-QSAR Methods

Rigorous Incorporation of Tautomers, Ionization Species, and Different Binding Modes into Ligand-Based and Receptor-Based 3D-QSAR Methods

Por Natesan, Senthil, Balaz, Stefan
Publicado em 2013

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7

Quantitative characterization of binding of small molecules to extracellular matrix

Quantitative characterization of binding of small molecules to extracellular matrix

Por Zhang, Yufen, Lukacova, Viera, Reindl, Katie, Balaz, Stefan
Publicado em 2006

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8

Structural Determinants of Binding of Aromates to Extracellular Matrix: A Multi-Species Multi-Mode CoMFA Study

Structural Determinants of Binding of Aromates to Extracellular Matrix: A Multi-Species Multi-Mode CoMFA Study

Por Zhang, Yufen, Lukacova, Viera, Bartus, Vladimir, Balaz, Stefan
Publicado em 2007

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9

Binding Affinity Prediction
for Ligands and Receptors Forming Tautomers and Ionization Species:
Inhibition of Mitogen-Activated Protein Kinase-Activated Protein Kinase
2 (MK2)

Binding Affinity Prediction for Ligands and Receptors Forming Tautomers and Ionization Species: Inhibition of Mitogen-Activated Protein Kinase-Activated Protein Kinase 2 (MK2)

Por Natesan, Senthil, Subramaniam, Rajesh, Bergeron, Charles, Balaz, Stefan
Publicado em 2012

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10

Sorption of Hydrophobic Organic Compounds on Natural Sorbents and Organoclays from Aqueous and Non-Aqueous Solutions: A Mini-Review

Sorption of Hydrophobic Organic Compounds on Natural Sorbents and Organoclays from Aqueous and Non-Aqueous Solutions: A Mini-Review

Por Moyo, Francis, Tandlich, Roman, Wilhelmi, Brendan S., Balaz, Stefan
Publicado em 2014

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11

Partitioning of Organic Compounds in Phases Imitating the Headgroup and Core Regions of Phospholipids Bilayers

Partitioning of Organic Compounds in Phases Imitating the Headgroup and Core Regions of Phospholipids Bilayers

Por Lukacova, Viera, Peng, Ming, Tandlich, Roman, Hinderliter, Anne, Balaz, Stefan
Publicado em 2006

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12

Rigorous Treatment of Multi-species Multi-mode Ligand-Receptor Interactions in 3D-QSAR: CoMFA Analysis of Thyroxine Analogs Binding to Transthyretin

Rigorous Treatment of Multi-species Multi-mode Ligand-Receptor Interactions in 3D-QSAR: CoMFA Analysis of Thyroxine Analogs Binding to Transthyretin

Por Natesan, Senthil, Wang, Tiansheng, Lukacova, Viera, Bartus, Vladimir, Khandelwal, Akash, Balaz, Stefan
Publicado em 2011

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13

Processing Multi-mode Binding Situations in Simulation-based Prediction of Ligand-Macromolecule Affinities

Processing Multi-mode Binding Situations in Simulation-based Prediction of Ligand-Macromolecule Affinities

Por Khandelwal, Akash, Lukacova, Viera, Kroll, Daniel M., Raha, Soumyendu, Comez, Dogan, Balaz, Stefan
Publicado em 2005

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14

A Combination of Docking, QM/MM Methods, and MD Simulation for Binding Affinity Estimation of Metalloprotein Ligands

A Combination of Docking, QM/MM Methods, and MD Simulation for Binding Affinity Estimation of Metalloprotein Ligands

Por Khandelwal, Akash, Lukacova, Viera, Comez, Dogan, Kroll, Daniel M., Raha, Soumyendu, Balaz, Stefan
Publicado em 2005

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15

A Comparison of the Binding Sites of Matrix Metalloproteinases and Tumor Necrosis Factor-α Converting Enzyme: Implications for Selectivity

A Comparison of the Binding Sites of Matrix Metalloproteinases and Tumor Necrosis Factor-α Converting Enzyme: Implications for Selectivity

Por Lukacova, Viera, Zhang, Yufen, Kroll, Daniel M., Raha, Soumyendu, Comez, Dogan, Balaz, Stefan
Publicado em 2005

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16

Cellular Quantitative
Structure–Activity Relationship
(Cell-QSAR): Conceptual Dissection of Receptor Binding and Intracellular
Disposition in Antifilarial Activities of Selwood Antimycins

Cellular Quantitative Structure–Activity Relationship (Cell-QSAR): Conceptual Dissection of Receptor Binding and Intracellular Disposition in Antifilarial Activities of Selwood Ant...

Por Natesan, Senthil, Wang, Tiansheng, Lukacova, Viera, Bartus, Vladimir, Khandelwal, Akash, Subramaniam, Rajesh, Balaz, Stefan
Publicado em 2012

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17

Structural Determinants of Drug Partitioning in n-Hexadecane/Water System

Structural Determinants of Drug Partitioning in n-Hexadecane/Water System

Por Natesan, Senthil, Wang, Zhanbin, Lukacova, Viera, Peng, Ming, Subramaniam, Rajesh, Lynch, Sandra, Balaz, Stefan
Publicado em 2013

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18

Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata

Structural Determinants of Drug Partitioning in Surrogates of Phosphatidylcholine Bilayer Strata

Por Lukacova, Viera, Natesan, Senthil, Peng, Ming, Tandlich, Roman, Wang, Zhanbin, Lynch, Sandra, Subramaniam, Rajesh, Balaz, Stefan
Publicado em 2013

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19

Structure-Based Prediction of Drug Distribution Across the Headgroup and Core Strata of a Phospholipid Bilayer Using Surrogate Phases

Structure-Based Prediction of Drug Distribution Across the Headgroup and Core Strata of a Phospholipid Bilayer Using Surrogate Phases

Por Natesan, Senthil, Lukacova, Viera, Peng, Ming, Subramaniam, Rajesh, Lynch, Sandra, Wang, Zhanbin, Tandlich, Roman, Balaz, Stefan
Publicado em 2014

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20

Drug-Membrane Interactions Studied in Phospholipid Monolayers Adsorbed on Non-porous Alkylated Microspheres

Drug-Membrane Interactions Studied in Phospholipid Monolayers Adsorbed on Non-porous Alkylated Microspheres

Por LUKACOVA, VIERA, PENG, MING, FANUCCI, GAIL, TANDLICH, ROMAN, HINDERLITER, ANNE, MAITY, BIKASH, MANIVANNAN, ETHIRAJAN, COOK, GREGORY R., BALAZ, STEFAN
Publicado em 2007

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