List of works - Stefan Mordalski

A linear combination of pharmacophore hypotheses as a new tool in search of new active compounds--an application for 5-HT1A receptor ligands

scientific article (publication date: 2013)

A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors

scientific article

An application of machine learning methods to structural interaction fingerprints--a case study of kinase inhibitors.

scientific article published on 10 December 2013

Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity.

scientific article published on 22 March 2013

Bioisosteric matrices for ligands of serotonin receptors

scientific article published on 13 March 2015

From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study

scientific article published on 05 January 2017

GPCRdb in 2018: adding GPCR structure models and ligands.

scientific article published on 16 November 2017

GPCRdb: an information system for G protein-coupled receptors

scientific article published on 6 December 2016

GPCRdb: an information system for G protein-coupled receptors.

scientific article published on 17 November 2015

GPCRdb: the G protein-coupled receptor database - an introduction

scientific article

Generic GPCR residue numbers - aligning topology maps while minding the gaps

scientific article

Homology modelling of metabotropic glutamate receptor 2.

scientific article published on 19 April 2011

Impact of template choice on homology model efficiency in virtual screening

scientific article

Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor

scientific article

Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods--A Case Study of Serotonin Receptors 5-HT(6) and 5-HT(7).

scientific article published on 8 April 2015

Multiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case study

scientific article (publication date: 2015)

Protein binding site analysis by means of structural interaction fingerprint patterns

scientific article published on 14 September 2011

Pyrano[2,3,4-cd]indole as a Scaffold for Selective Nonbasic 5-HT6R Ligands.

scientific article

Rapid binding site analysis by means of structural interaction fingerprint patterns – an implication to GPCR-targeted CADD.

scientific article published on 19 April 2011

Reaction mechanism of sterol hydroxylation by steroid C25 dehydrogenase - Homology model, reactivity and isoenzymatic diversity

scientific article published on 27 April 2017

Simulations in evolution. III. Randomness as a generator of opportunities

scientific article published in January 2013

Structural insights into serotonin receptor ligands polypharmacology

scientific article published on 6 April 2018

Synthesis and structural investigation of some pyrimido[5,4-c]quinolin-4(3H)-one derivatives with a long-chain arylpiperazine moiety as potent 5-HT(1A/2A) and 5-HT(7) receptor ligands

scientific article

List of works by Stefan Mordalski

A linear combination of pharmacophore hypotheses as a new tool in search of new active compounds--an application for 5-HT1A receptor ligands

A new crystal structure fragment-based pharmacophore method for G protein-coupled receptors

An application of machine learning methods to structural interaction fingerprints--a case study of kinase inhibitors.

Application of Structural Interaction Fingerpints (SIFts) into post-docking analysis - insight into activity and selectivity.

Bioisosteric matrices for ligands of serotonin receptors

From Homology Models to a Set of Predictive Binding Pockets-a 5-HT1A Receptor Case Study

GPCRdb in 2018: adding GPCR structure models and ligands.

GPCRdb: an information system for G protein-coupled receptors

GPCRdb: an information system for G protein-coupled receptors.

GPCRdb: the G protein-coupled receptor database - an introduction

Generic GPCR residue numbers - aligning topology maps while minding the gaps

Homology modelling of metabotropic glutamate receptor 2.

Impact of template choice on homology model efficiency in virtual screening

Ligand-guided homology modelling of the GABAB2 subunit of the GABAB receptor

Multi-Step Protocol for Automatic Evaluation of Docking Results Based on Machine Learning Methods--A Case Study of Serotonin Receptors 5-HT(6) and 5-HT(7).

Multiple conformational states in retrospective virtual screening – homology models vs. crystal structures: beta-2 adrenergic receptor case study

Protein binding site analysis by means of structural interaction fingerprint patterns

Pyrano[2,3,4-cd]indole as a Scaffold for Selective Nonbasic 5-HT6R Ligands.

Rapid binding site analysis by means of structural interaction fingerprint patterns – an implication to GPCR-targeted CADD.

Reaction mechanism of sterol hydroxylation by steroid C25 dehydrogenase - Homology model, reactivity and isoenzymatic diversity

Simulations in evolution. III. Randomness as a generator of opportunities

Structural insights into serotonin receptor ligands polypharmacology

Synthesis and structural investigation of some pyrimido[5,4-c]quinolin-4(3H)-one derivatives with a long-chain arylpiperazine moiety as potent 5-HT(1A/2A) and 5-HT(7) receptor ligands

The importance of template choice in homology modeling. A 5-HT6R case study