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Novel Potent and Selective Central 5-HT3 Receptor Ligands Provided with Different Intrinsic Efficacy. 1. Mapping the Central 5-HT3 Receptor Binding Site by Arylpiperazine Derivatives

Journal of medicinal chemistry, 1998-02, Vol.41 (5), p.728-741

1998

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Electrostatic Analysis and Brownian Dynamics Simulation of the Association of Plastocyanin and Cytochrome F

Biophysical journal, 2001-12, Vol.81 (6), p.3090-3104

2001

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Activation Mechanism of Human Oxytocin Receptor: A Combined Study of Experimental and Computer-Simulated Mutagenesis

Molecular pharmacology, 1999-07, Vol.56 (1), p.214-225

1999

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Novel Potent and Selective Central 5-HT3 Receptor Ligands Provided with Different Intrinsic Efficacy. 2. Molecular Basis of the Intrinsic Efficacy of Arylpiperazine Derivatives at the Central 5-HT3 Receptors

Journal of medicinal chemistry, 1999-05, Vol.42 (9), p.1556-1575

1999

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Mutational analysis of the highly conserved arginine within the Glu/Asp-Arg-Tyr motif of the alpha(1b)-adrenergic receptor: effects on receptor isomerization and activation

Molecular pharmacology, 2000-02, Vol.57 (2), p.219

2000

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Computational Modeling Approaches to Structure−Function Analysis of G Protein-Coupled Receptors

Chemical reviews, 2005-09, Vol.105 (9), p.3297-3351

2005

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Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4

Journal of computer-aided molecular design, 2000-01, Vol.14 (1), p.93-116

2000

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Theoretical investigation of IL-6 multiprotein receptor assembly

Proteins, structure, function, and bioinformatics, 1997-12, Vol.29 (4), p.528-548

1997

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Constitutively active mutants of the alpha 1B‐adrenergic receptor: role of highly conserved polar amino acids in receptor activation

The EMBO journal, 1996-07, Vol.15 (14), p.3566-3578

1996

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Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists

Journal of medicinal chemistry, 2001-07, Vol.44 (15), p.2403-2410

2001

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Mapping the Peripheral Benzodiazepine Receptor Binding Site by Conformationally Restrained Derivatives of 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide (PK11195)

Journal of medicinal chemistry, 1997-08, Vol.40 (18), p.2910-2921

1997

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Advent of computer technology

Methods (San Diego, Calif.), 1998-03, Vol.14 (3), p.237-238

De Benedetti, P G

1998

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Theoretical descriptors in quantitative structure–affinity and selectivity relationship study of potent N4-substituted arylpiperazine 5-HT1 A receptor antagonists

Bioorganic & medicinal chemistry, 1998-05, Vol.6 (5), p.535-550

1998

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The binding of benzenesulfonamides to carbonic anhydrase enzyme. A molecular mechanics study and quantitative structure-activity relationships

Journal of medicinal chemistry, 1989-05, Vol.32 (5), p.951-956

1989

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Synthesis, Biological Evaluation, and Quantitative Receptor Docking Simulations of 2-[(Acylamino)ethyl]-1,4-benzodiazepines as Novel Tifluadom-like Ligands with High Affinity and Selectivity for κ-Opioid Receptors

Journal of medicinal chemistry, 1996-02, Vol.39 (4), p.860-872

1996

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Relevance of theoretical molecular descriptors in quantitative structure–activity relationship analysis of α1-adrenergic receptor antagonists

Bioorganic & medicinal chemistry, 1999-11, Vol.7 (11), p.2437-2451

1999

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Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates

Physical review. E, Statistical, nonlinear, and soft matter physics, 2006-04, Vol.73 (4 Pt 1), p.041604-041604, Article 041604

2006

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Molecular modeling and quantitative structure-activity analysis of antibacterial sulfanilamides and sulfones

Progress in drug research, 1991, Vol.36, p.361

De Benedetti, P G

1991

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Design, synthesis, structural studies, biological evaluation, and computational simulations of novel potent AT(1) angiotensin II receptor antagonists based on the 4-phenylquinoline structure

Journal of medicinal chemistry, 2004-05, Vol.47 (10), p.2574-2586

2004

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Quantitative structure-activity relationships in dihydropteroate synthase inhibition by multisubstituted sulfones. Design and synthesis of some new derivatives with improved potency

Journal of medicinal chemistry, 1989-10, Vol.32 (10), p.2396-2399

1989

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Seeking for binding determinants of the prion protein to human plasminogen

Molecular physics, 2003-09, Vol.101 (17), p.2763-2773

2003

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Computational simulations of stem-cell factor/c-Kit receptor interaction

Proteins, structure, function, and bioinformatics, 1996-09, Vol.26 (1), p.42-54

1996

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

Proteins, structure, function, and bioinformatics, 2004-08, Vol.56 (3), p.430-448

2004

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Phenylpiperazinylalkylamino Substituted Pyridazinones as Potent α1 Adrenoceptor Antagonists

Journal of medicinal chemistry, 2001-07, Vol.44 (15), p.2403-2410

2001

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Theoretical study of the electrostatically driven step of receptor-G protein recognition

Proteins, structure, function, and bioinformatics, 1999-11, Vol.37 (2), p.145-156

1999

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Novel Potent and Selective Central 5-HT3 Receptor Ligands Provided with Different Intrinsic Efficacy. 1. Mapping the Central 5-HT3 Receptor Binding Site by Arylpiperazine Derivatives

Electrostatic Analysis and Brownian Dynamics Simulation of the Association of Plastocyanin and Cytochrome F

Activation Mechanism of Human Oxytocin Receptor: A Combined Study of Experimental and Computer-Simulated Mutagenesis

Novel Potent and Selective Central 5-HT3 Receptor Ligands Provided with Different Intrinsic Efficacy. 2. Molecular Basis of the Intrinsic Efficacy of Arylpiperazine Derivatives at the Central 5-HT3 Receptors

Mutational analysis of the highly conserved arginine within the Glu/Asp-Arg-Tyr motif of the alpha(1b)-adrenergic receptor: effects on receptor isomerization and activation

Computational Modeling Approaches to Structure−Function Analysis of G Protein-Coupled Receptors

Theoretical investigation of substrate specificity for cytochromes P450 IA2, P450 IID6 and P450 IIIA4

Theoretical investigation of IL-6 multiprotein receptor assembly

Constitutively active mutants of the alpha 1B‐adrenergic receptor: role of highly conserved polar amino acids in receptor activation

Phenylpiperazinylalkylamino substituted pyridazinones as potent alpha(1) adrenoceptor antagonists

Mapping the Peripheral Benzodiazepine Receptor Binding Site by Conformationally Restrained Derivatives of 1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide (PK11195)

Advent of computer technology

Theoretical descriptors in quantitative structure–affinity and selectivity relationship study of potent N4-substituted arylpiperazine 5-HT1 A receptor antagonists

The binding of benzenesulfonamides to carbonic anhydrase enzyme. A molecular mechanics study and quantitative structure-activity relationships

Synthesis, Biological Evaluation, and Quantitative Receptor Docking Simulations of 2-[(Acylamino)ethyl]-1,4-benzodiazepines as Novel Tifluadom-like Ligands with High Affinity and Selectivity for κ-Opioid Receptors

Relevance of theoretical molecular descriptors in quantitative structure–activity relationship analysis of α1-adrenergic receptor antagonists

Effect of pressure on the phase behavior and structure of water confined between nanoscale hydrophobic and hydrophilic plates

Molecular modeling and quantitative structure-activity analysis of antibacterial sulfanilamides and sulfones

Design, synthesis, structural studies, biological evaluation, and computational simulations of novel potent AT(1) angiotensin II receptor antagonists based on the 4-phenylquinoline structure

Quantitative structure-activity relationships in dihydropteroate synthase inhibition by multisubstituted sulfones. Design and synthesis of some new derivatives with improved potency

Seeking for binding determinants of the prion protein to human plasminogen

Computational simulations of stem-cell factor/c-Kit receptor interaction

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

Phenylpiperazinylalkylamino Substituted Pyridazinones as Potent α1 Adrenoceptor Antagonists

Theoretical study of the electrostatically driven step of receptor-G protein recognition

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