Cavasotto CN - Search Results

1

Scalaradial, a dialdehyde-containing marine metabolite that causes an unexpected noncovalent PLA2 Inactivation.

Monti MC, Casapullo A, Cavasotto CN, Napolitano A, Riccio R. Monti MC, et al. Among authors: cavasotto cn. Chembiochem. 2007 Sep 3;8(13):1585-91. doi: 10.1002/cbic.200700217. Chembiochem. 2007. PMID: 17691073

2

The binding mode of petrosaspongiolide M to the human group IIA phospholipase A(2): exploring the role of covalent and noncovalent interactions in the inhibition process.

Monti MC, Casapullo A, Cavasotto CN, Tosco A, Dal Piaz F, Ziemys A, Margarucci L, Riccio R. Monti MC, et al. Among authors: cavasotto cn. Chemistry. 2009;15(5):1155-63. doi: 10.1002/chem.200801512. Chemistry. 2009. PMID: 19065693

3

Molecular modeling of glucose diffusivity in silica nanochannels.

Ziemys A, Ferrari M, Cavasotto CN. Ziemys A, et al. Among authors: cavasotto cn. J Nanosci Nanotechnol. 2009 Nov;9(11):6349-59. doi: 10.1166/jnn.2009.1822. J Nanosci Nanotechnol. 2009. PMID: 19908533

4

Computational and experimental studies of the interaction between phospho-peptides and the C-terminal domain of BRCA1.

Anisimov VM, Ziemys A, Kizhake S, Yuan Z, Natarajan A, Cavasotto CN. Anisimov VM, et al. Among authors: cavasotto cn. J Comput Aided Mol Des. 2011 Nov;25(11):1071-84. doi: 10.1007/s10822-011-9484-3. Epub 2011 Nov 16. J Comput Aided Mol Des. 2011. PMID: 22086652 Free PMC article.

5

Quantum mechanical binding free energy calculation for phosphopeptide inhibitors of the Lck SH2 domain.

Anisimov VM, Cavasotto CN. Anisimov VM, et al. Among authors: cavasotto cn. J Comput Chem. 2011 Jul 30;32(10):2254-63. doi: 10.1002/jcc.21808. Epub 2011 Apr 11. J Comput Chem. 2011. PMID: 21484840

6

Hydration free energies using semiempirical quantum mechanical Hamiltonians and a continuum solvent model with multiple atomic-type parameters.

Anisimov VM, Cavasotto CN. Anisimov VM, et al. Among authors: cavasotto cn. J Phys Chem B. 2011 Jun 23;115(24):7896-905. doi: 10.1021/jp203885n. Epub 2011 May 27. J Phys Chem B. 2011. PMID: 21585215

7

Flexi-pharma: a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles.

Lans I, Palacio-Rodríguez K, Cavasotto CN, Cossio P. Lans I, et al. Among authors: cavasotto cn. J Comput Aided Mol Des. 2020 Oct;34(10):1063-1077. doi: 10.1007/s10822-020-00329-7. Epub 2020 Jul 12. J Comput Aided Mol Des. 2020. PMID: 32656619 Free PMC article.

8

Binding Free Energy Calculation Using Quantum Mechanics Aimed for Drug Lead Optimization.

Cavasotto CN. Cavasotto CN. Methods Mol Biol. 2020;2114:257-268. doi: 10.1007/978-1-0716-0282-9_16. Methods Mol Biol. 2020. PMID: 32016898 Review.

9

Homology models in docking and high-throughput docking.

Cavasotto CN. Cavasotto CN. Curr Top Med Chem. 2011;11(12):1528-34. doi: 10.2174/156802611795860951. Curr Top Med Chem. 2011. PMID: 21510834 Review.

10

Homology modeling in drug discovery: current trends and applications.

Cavasotto CN, Phatak SS. Cavasotto CN, et al. Drug Discov Today. 2009 Jul;14(13-14):676-83. doi: 10.1016/j.drudis.2009.04.006. Epub 2009 May 5. Drug Discov Today. 2009. PMID: 19422931 Review.

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