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Combined Ligand/Structure-Based Virtual Screening and Molecular Dynamics Simulations of Steroidal Androgen Receptor Antagonists.
- Published in:
- BioMed Research International, 2017, v. 2017, p. 1, doi. 10.1155/2017/3572394
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- Publication type:
- Article
Ligand Efficiency Outperforms pIC<sub>50</sub> on Both 2D MLR and 3D CoMFA Models: A Case Study on AR Antagonists.
- Published in:
- 2015
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- Publication type:
- Case Study
Anti-Oxidation and Anti-Inflammatory Potency Evaluation of Ferulic Acid Derivatives Obtained through Virtual Screening.
- Published in:
- International Journal of Molecular Sciences, 2021, v. 22, n. 21, p. 11305, doi. 10.3390/ijms222111305
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- Publication type:
- Article
Molecular Dynamics Simulations to Investigate How PZM21 Affects the Conformational State of the μ-Opioid Receptor Upon Activation.
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- International Journal of Molecular Sciences, 2020, v. 21, n. 13, p. 4699, doi. 10.3390/ijms21134699
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- Publication type:
- Article
Exploring the Influence of Carbon Nanoparticles on the Formation of β-Sheet-Rich Oligomers of IAPP<sub>22–28</sub> Peptide by Molecular Dynamics Simulation.
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- PLoS ONE, 2013, v. 8, n. 6, p. 1, doi. 10.1371/journal.pone.0065579
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- Publication type:
- Article
QSAR Analysis of a Series of Hydantoin-based Androgen Receptor Modulators and Corresponding Binding Affinities.
- Published in:
- Molecular Informatics, 2019, v. 38, n. 8/9, p. 1, doi. 10.1002/minf.201800147
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- Publication type:
- Article
A Novel Strategy of Structural Similarity Based Consensus Modeling.
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- Molecular Informatics, 2013, v. 32, n. 7, p. 599, doi. 10.1002/minf.201200170
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- Publication type:
- Article
Structure-Activity Relationship Analysis of the Thermal Stabilities of Nitroaromatic Compounds Following Different Decomposition Mechanisms.
- Published in:
- Molecular Informatics, 2013, v. 32, n. 2, p. 193, doi. 10.1002/minf.201200089
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- Publication type:
- Article
In Silico Study Combining Docking and QSAR Methods on a Series of Matrix Metalloproteinase 13 Inhibitors.
- Published in:
- Archiv der Pharmazie, 2014, v. 347, n. 11, p. 825, doi. 10.1002/ardp.201400200
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- Publication type:
- Article
Quantitative Structure-Activity Relationship Analysis of a Series of Human Renal Organic Anion Transporter Inhibitors.
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- Archiv der Pharmazie, 2012, v. 345, n. 10, p. 759, doi. 10.1002/ardp.201200088
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- Publication type:
- Article
Molecular Dynamics Studies on the Enzalutamide Resistance Mechanisms Induced by Androgen Receptor Mutations.
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- Journal of Cellular Biochemistry, 2017, v. 118, n. 9, p. 2792, doi. 10.1002/jcb.25928
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- Publication type:
- Article
Molecular mechanism of R-bicalutamide switching from androgen receptor antagonist to agonist induced by amino acid mutations using molecular dynamics simulations and free energy calculation.
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- Journal of Computer-Aided Molecular Design, 2016, v. 30, n. 12, p. 1189, doi. 10.1007/s10822-016-9992-2
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- Publication type:
- Article
Structural Optimization of Cannabidiol as Multifunctional Cosmetic Raw Materials.
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- Antioxidants, 2023, v. 12, n. 2, p. 314, doi. 10.3390/antiox12020314
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- Publication type:
- Article
Discovery and Identification of Pyrazolopyramidine Analogs as Novel Potent Androgen Receptor Antagonists.
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- Frontiers in Pharmacology, 2018, p. N.PAG, doi. 10.3389/fphar.2018.00864
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- Publication type:
- Article
The importance of molecular structures, endpoints' values, and predictivity parameters in QSAR research: QSAR analysis of a series of estrogen receptor binders.
- Published in:
- Molecular Diversity, 2010, v. 14, n. 4, p. 687, doi. 10.1007/s11030-009-9212-2
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- Publication type:
- Article
Recent Advances in the Chemistry of Heavier Group 14 Analogues of Carbonyls.
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- Chemistry - An Asian Journal, 2022, v. 17, n. 18, p. 1, doi. 10.1002/asia.202200611
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- Publication type:
- Article
A new strategy to improve the predictive ability of the local lazy regression and its application to the QSAR study of melanin-concentrating hormone receptor 1 antagonists.
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- Journal of Computational Chemistry, 2010, v. 31, n. 5, p. 973, doi. 10.1002/jcc.21383
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- Publication type:
- Article
A combined molecular modeling study on gelatinases and their potent inhibitors.
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- Journal of Computational Chemistry, 2010, v. 31, n. 1, p. 24, doi. 10.1002/jcc.21279
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- Publication type:
- Article
A novel method for protein-ligand binding affinity prediction and the related descriptors exploration.
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- Journal of Computational Chemistry, 2009, v. 30, n. 6, p. 900, doi. 10.1002/jcc.21078
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- Publication type:
- Article
QSAR study of malonyl-CoA decarboxylase inhibitors using GA-MLR and a new strategy of consensus modeling.
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- Journal of Computational Chemistry, 2008, v. 29, n. 16, p. 2636, doi. 10.1002/jcc.21002
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- Publication type:
- Article
Studying the Binding Modes of Novel 2-Aminopyridine Derivatives as Effective and Selective c-Met Kinase Type 1 Inhibitors Using Molecular Modeling Approaches.
- Published in:
- Molecules, 2021, v. 26, n. 1, p. 52, doi. 10.3390/molecules26010052
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- Publication type:
- Article
Molecular modeling study of checkpoint kinase 1 inhibitors by multiple docking strategies and prime/MM-GBSA calculation.
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- Journal of Computational Chemistry, 2011, v. 32, n. 13, p. 2800, doi. 10.1002/jcc.21859
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- Publication type:
- Article
In silico prediction of deleterious single amino acid polymorphisms from amino acid sequence.
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- Journal of Computational Chemistry, 2011, v. 32, n. 7, p. 1211, doi. 10.1002/jcc.21701
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- Publication type:
- Article
Structure-based quantitative structure-activity relationship studies of checkpoint kinase 1 inhibitors.
- Published in:
- Journal of Computational Chemistry, 2010, v. 31, n. 15, p. 2783, doi. 10.1002/jcc.21571
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- Publication type:
- Article