De Benedetti PG - Search Results

1

Probing fragment complementation by rigid-body docking: in silico reconstitution of calbindin D9k.

Dell'Orco D, Seeber M, De Benedetti PG, Fanelli F. Dell'Orco D, et al. Among authors: de benedetti pg. J Chem Inf Model. 2005 Sep-Oct;45(5):1429-38. doi: 10.1021/ci0501995. J Chem Inf Model. 2005. PMID: 16180920

2

In silico screening of mutational effects on enzyme-proteic inhibitor affinity: a docking-based approach.

Dell'Orco D, De Benedetti PG, Fanelli F. Dell'Orco D, et al. Among authors: de benedetti pg. BMC Struct Biol. 2007 Jun 8;7:37. doi: 10.1186/1472-6807-7-37. BMC Struct Biol. 2007. PMID: 17559675 Free PMC article.

3

In silico screening of mutational effects on transmembrane helix dimerization: insights from rigid-body docking and molecular dynamics simulations.

Dell'Orco D, De Benedetti PG, Fanelli F. Dell'Orco D, et al. Among authors: de benedetti pg. J Phys Chem B. 2007 Aug 2;111(30):9114-24. doi: 10.1021/jp071383r. Epub 2007 Jun 28. J Phys Chem B. 2007. PMID: 17602582

4

Molecular dynamics simulations of the ligand-induced chemical information transfer in the 5-HT(1A) receptor.

Seeber M, De Benedetti PG, Fanelli F. Seeber M, et al. Among authors: de benedetti pg. J Chem Inf Comput Sci. 2003 Sep-Oct;43(5):1520-31. doi: 10.1021/ci034069c. J Chem Inf Comput Sci. 2003. PMID: 14502486

5

Computational modeling approaches to structure-function analysis of G protein-coupled receptors.

Fanelli F, De Benedetti PG. Fanelli F, et al. Among authors: de benedetti pg. Chem Rev. 2005 Sep;105(9):3297-351. doi: 10.1021/cr000095n. Chem Rev. 2005. PMID: 16159154 Review. No abstract available.

6

Quantitative structure-activity relationship analysis of canonical inhibitors of serine proteases.

Dell'orco D, De Benedetti PG. Dell'orco D, et al. Among authors: de benedetti pg. J Comput Aided Mol Des. 2008 Jun-Jul;22(6-7):469-78. doi: 10.1007/s10822-008-9175-x. Epub 2008 Jan 23. J Comput Aided Mol Des. 2008. PMID: 18217217

7

Structural features of the inactive and active states of the melanin-concentrating hormone receptors: insights from molecular simulations.

Vitale RM, Pedone C, De Benedetti PG, Fanelli F. Vitale RM, et al. Among authors: de benedetti pg. Proteins. 2004 Aug 15;56(3):430-48. doi: 10.1002/prot.20125. Proteins. 2004. PMID: 15229878

8

Inactive and active states and supramolecular organization of GPCRs: insights from computational modeling.

Fanelli F, De Benedetti PG. Fanelli F, et al. Among authors: de benedetti pg. J Comput Aided Mol Des. 2006 Jul-Aug;20(7-8):449-61. doi: 10.1007/s10822-006-9064-0. Epub 2006 Sep 29. J Comput Aided Mol Des. 2006. PMID: 17009093 Review.

9

Computational modeling of intramolecular and intermolecular communication in GPCRs.

Fanelli F, De Benedetti PG, Raimondi F, Seeber M. Fanelli F, et al. Among authors: de benedetti pg. Curr Protein Pept Sci. 2009 Apr;10(2):173-85. doi: 10.2174/138920309787847554. Curr Protein Pept Sci. 2009. PMID: 19355984 Review.

10

Ligand-receptor communication and drug design.

De Benedetti PG, Fanelli F. De Benedetti PG, et al. Curr Protein Pept Sci. 2009 Apr;10(2):186-93. doi: 10.2174/138920309787847581. Curr Protein Pept Sci. 2009. PMID: 19355985 Review.

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