Angelo Vedani

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AcquaAlta: A Directional Approach to the Solvation of Ligand-Protein Complexes

Martin Smiesko, Gianluca Rossato, Beat Ernst, 2011, J. Chem. Inf. Model..

Combining 4D Pharmacophore Generation and Multidimensional QSAR: Modeling Ligand Binding to the Bradykinin B2 Receptor

Markus A. Lill, Angelo Vedani, A. Vedani, 2006, J. Chem. Inf. Model..

Exploring the free-energy landscape of carbohydrate–protein complexes: development and validation of scoring functions considering the binding-site topology

Sameh Eid, Noureldin Saleh, Angelo Vedani, 2014, Journal of Computer-Aided Molecular Design.

A molecular model for the active site of S-adenosyl-l-homocysteine hydrolase

Angelo Vedani, Ronald T. Borchardt, Jerry C. Yeh, 1991, J. Comput. Aided Mol. Des..

VirtualToxLab – in silico Prediction of the Endocrine-Disrupting Potential of Drugs and Chemicals

Max Dobler, Angelo Vedani, Martin Smiesko, 2008 .

Raptor: combining dual-shell representation, induced-fit simulation, and hydrophobicity scoring in receptor modeling: application toward the simulation of structurally diverse ligand sets.

Markus A Lill, Max Dobler, Angelo Vedani, 2004, Journal of medicinal chemistry.

Algorithm for the systematic solvation of proteins based on the directionality of hydrogen bonds

Angelo Vedani, A. Vedani, David W. Huhta, 1991 .

5D-QSAR: the key for simulating induced fit?

Max Dobler, Angelo Vedani, A. Vedani, 2002, Journal of medicinal chemistry.

Novel ligands for the chemokine receptor-3 (CCR3): a receptor-modeling study based on 5D-QSAR.

Markus A Lill, Max Dobler, Angelo Vedani, 2005, Journal of medicinal chemistry.

Quasi-Atomistic Receptor Surface Models: A Bridge between 3-D QSAR and Receptor Modeling

Peter Zbinden, Max Dobler, Angelo Vedani, 1998 .

The challenge of predicting drug toxicity in silico.

Markus A Lill, Max Dobler, Angelo Vedani, 2006, Basic & clinical pharmacology & toxicology.

Simulating α/β Selectivity at the Human Thyroid Hormone Receptor: Consensus Scoring Using Multidimensional QSAR

Markus A. Lill, Beat Ernst, Angelo Vedani, 2007 .

Metal-coordination, hydrogen-bond network formation, and protein-solvent interactions in native and complexed human carbonic anhydrase I: a molecular mechanics study

Angelo Vedani, Stephen P. Jacober, A. Vedani, 1989 .

Predicting the toxic potential of drugs and chemicals in silico: a model for the peroxisome proliferator-activated receptor gamma (PPAR gamma).

Beat Ernst, Angelo Vedani, Morena Spreafico, 2007, Toxicology letters.

YETI: An interactive molecular mechanics program for small‐molecule protein complexes

Angelo Vedani, A. Vedani, 1988 .

Multidimensional QSAR: Moving from three‐ to five‐dimensional concepts

Max Dobler, Angelo Vedani, A. Vedani, 2002 .

A new force field for modeling metalloproteins

Angelo Vedani, A. Vedani, David W. Huhta, 1990 .

Predicting the toxic potential of drugs and chemicals in silico.

Markus A Lill, Max Dobler, Angelo Vedani, 2007, ALTEX.

Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals.

Markus A Lill, Beat Ernst, Angelo Vedani, 2005, Journal of medicinal chemistry.

Multi-dimensional QSAR in drug research

Max Dobler, Angelo Vedani, A. Vedani, 2000 .

In Silico Toxicology in Drug Discovery — Concepts Based on Three-dimensional Models

Angelo Vedani, Martin Smiesko, A. Vedani, 2009, Alternatives to laboratory animals : ATLA.

Pseudoreceptor Modeling: The Construction of Three-Dimensional Receptor Surrogates

James P. Snyder, Peter Zbinden, Angelo Vedani, 1995 .

Prediction of Small‐Molecule Binding to Cytochrome P450 3A4: Flexible Docking Combined with Multidimensional QSAR

Markus A Lill, Max Dobler, Angelo Vedani, 2006, ChemMedChem.

Multi-conformational Ligand Representation in 4D-QSAR: Reducing the Bias Associated with Ligand Alignment

Max Dobler, Angelo Vedani, Daniel R. McMasters, 2000 .

[Computer-Aided Drug Design: An Alternative to Animal Testing in the Pharmacological Screening]

Angelo Vedani, A. Vedani, 1991, ALTEX.

Probing Small‐Molecule Binding to the Liver‐X Receptor: A Mixed‐Model QSAR Study

Angelo Vedani, Martin Smiesko, Gianluca Rossato, 2010, Molecular informatics.

APOLLO pharmacophores and the pseudoreceptor concept

James P. Snyder, Roberto Pellicciari, Konrad F. Koehler, 1993 .

Lone-pair directionality in hydrogen-bond potential functions for molecular mechanics calculations: the inhibition of human carbonic anhydrase II by sulfonamides

Jack D. Dunitz, Angelo Vedani, A. Vedani, 1985 .

PrGen: Pseudoreceptor Modeling Using Receptor‐mediated Ligand Alignment and Pharmacophore Equilibration

Gerd Folkers, Peter Zbinden, Max Dobler, 1998 .

An empirical potential function for metal centers: Application to molecular mechanics calculations on metalloproteins

Max Dobler, Angelo Vedani, A. Vedani, 1986 .

Quasi‐atomistic Receptor Surrogates for the 5‐HT2A Receptor: A 3D‐QSAR Study on Hallucinogenic Substances

Angelo Vedani, Karl-Artur Kovar, Meike Schulze-Alexandru, 1999 .

Probing Small‐Molecule Binding to Cytochrome P450 2D6 and 2C9: An In Silico Protocol for Generating Toxicity Alerts

Beat Ernst, Angelo Vedani, Martin Smiesko, 2010, ChemMedChem.