List of works - Harald Lanig

2,4-Diamino-9H-pyrimido[4,5-b]indol-5-ols: Synthesis, in vitro cytotoxic activity, and QSAR investigations

scientific article published in 2006

A topical collection on the occasion of Tim Clark’s 65th birthday

AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine

scientific article published on 21 October 2005

Active-state model of a dopamine D2 receptor-Gαi complex stabilized by aripiprazole-type partial agonists

scientific article

Active-state models of ternary GPCR complexes: determinants of selective receptor-G-protein coupling

scientific article

Aeromonas proteolytica aminopeptidase: an investigation of the mode of action using a quantum mechanical/molecular mechanical approach

scientific article

An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package

scientific article published on 8 August 2024

Collagen type II is recognized by a pathogenic antibody through germline encoded structures

scientific article published in October 2008

Comparative molecular field analysis of dopamine D4 receptor antagonists including 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo-[2,3-b]pyridine (L-745,870), [...]

scientific article

Diarylpropane-1,3-dione derivatives as TetR-inducing tetracycline mimetics: Synthesis and biological investigations

scientific article published in December 2009

Distinct Acidic Clusters and Hydrophobic Residues in the Alternative Splice Domains X1 and X2 of α7 Integrins Define Specificity for Laminin Isoforms

Dopamine D2, D3, and D4 selective phenylpiperazines as molecular probes to explore the origins of subtype specific receptor binding.

scientific article published in August 2009

Effective elimination of acute myeloid leukemic cells by recombinant bispecific antibody derivatives directed against CD33 and CD16.

scientific article published in July 2010

Electrostatic Complexation and Photoinduced Electron Transfer between Zn-Cytochrome c and Polyanionic Fullerene Dendrimers

Fluorescence quenching by electron transfer in quinolinium betaines. Semiempirical and experimental studies

Fluorescence studies and semiempirical calculations on alkali ion indicators

Functional consequence of fibulin-4 missense mutations associated with vascular and skeletal abnormalities and cutis laxa

scientific article published on 20 June 2016

How does Mg(2+) affect the binding of anhydrotetracycline in the TetR protein?

scientific article published in January 2004

In Silico Adoption of an Orphan Nuclear Receptor NR4A1

scientific article published on 13 August 2015

Induction of the tetracycline repressor: characterization by molecular-dynamics simulations.

scientific article published in December 2009

Intramolecular deactivation of substituted quinolinium cations. Time-resolved fluorescence and semi-empirical calculations

Modeling the similarity and divergence of dopamine D2-like receptors and identification of validated ligand-receptor complexes

scientific article published in February 2005

Molecular Dynamics Characterization of the Structures and Induction Mechanisms of a Reverse Phenotype of the Tetracycline Receptor

article

Molecular Dynamics Simulations of the Effect of the G-Protein and Diffusible Ligands on the β2-Adrenergic Receptor

article

Molecular Dynamics Simulations of the Tetracycline-repressor Protein: The Mechanism of Induction

article

Molecular Mechanics

Molecular building kit of fused-proline-derived peptide mimetics allowing specific adjustment of the dihedral Psi angle

scientific article published on 24 October 2007

Molecular dynamics simulation links conformation of a pore-flanking region to hyperekplexia-related dysfunction of the inhibitory glycine receptor.

scientific article

Monitoring Biological Membrane-Potential Changes: A CI QM/MM Study

Progesterone 5β-reductases/iridoid synthases (PRISE): gatekeeper role of highly conserved phenylalanines in substrate preference and trapping is supported by molecular dynamics simulations

scientific article published on 12 October 2015

SCRF-DFT and NMR comparison of tetracycline and 5a,6-anhydrotetracycline in solution

scientific article

Simulating FRET from tryptophan: is the rotamer model correct?

scientific article

Solvent relaxation behaviour of n-anthroyloxy fatty acids in PC-vesicles and paraffin oil: a time-resolved emission spectra study

scientific article published on 01 January 1997

Structural Changes and Binding Characteristics of the Tetracycline-Repressor Binding Site on Induction

article published in 2006

Structural Insight into the Prolyl Hydroxylase PHD2: A Molecular Dynamics and DFT Study

article

Structural variations of piritrexim, a lipophilic inhibitor of human dihydrofolate reductase: synthesis, antitumor activity and molecular modeling investigations

scientific article

Systematic surface scan of the most favorable interaction sites of magnesium ions with tetracycline

scientific article

The structure of 5a,6–anhydrotetracycline and its Mg2+ complexes in aqueous solution

Therapeutic Implications of the IL-21: IL-4 Receptor System in Children with Common Variable Immunodeficiency Syndrome

scientific article published on 05 November 2010

Three-dimensional modeling of a pre-B-cell receptor

scientific article published in March 2004

List of works by Harald Lanig

2,4-Diamino-9H-pyrimido[4,5-b]indol-5-ols: Synthesis, in vitro cytotoxic activity, and QSAR investigations

A topical collection on the occasion of Tim Clark’s 65th birthday

AMBER force-field parameters for phosphorylated amino acids in different protonation states: phosphoserine, phosphothreonine, phosphotyrosine, and phosphohistidine

Active-state model of a dopamine D2 receptor-Gαi complex stabilized by aripiprazole-type partial agonists

Active-state models of ternary GPCR complexes: determinants of selective receptor-G-protein coupling

Aeromonas proteolytica aminopeptidase: an investigation of the mode of action using a quantum mechanical/molecular mechanical approach

An automated calculation pipeline for differential pair interaction energies with molecular force fields using the Tinker Molecular Modeling Package

Collagen type II is recognized by a pathogenic antibody through germline encoded structures

Comparative molecular field analysis of dopamine D4 receptor antagonists including 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]pyrazolo[1,5-a]pyridine (FAUC 113), 3-[4-(4-chlorophenyl)piperazin-1-ylmethyl]-1H-pyrrolo-[2,3-b]pyridine (L-745,870), [...]

Diarylpropane-1,3-dione derivatives as TetR-inducing tetracycline mimetics: Synthesis and biological investigations

Distinct Acidic Clusters and Hydrophobic Residues in the Alternative Splice Domains X1 and X2 of α7 Integrins Define Specificity for Laminin Isoforms

Dopamine D2, D3, and D4 selective phenylpiperazines as molecular probes to explore the origins of subtype specific receptor binding.

Effective elimination of acute myeloid leukemic cells by recombinant bispecific antibody derivatives directed against CD33 and CD16.

Electrostatic Complexation and Photoinduced Electron Transfer between Zn-Cytochrome c and Polyanionic Fullerene Dendrimers

Fluorescence quenching by electron transfer in quinolinium betaines. Semiempirical and experimental studies

Fluorescence studies and semiempirical calculations on alkali ion indicators

Functional consequence of fibulin-4 missense mutations associated with vascular and skeletal abnormalities and cutis laxa

How does Mg(2+) affect the binding of anhydrotetracycline in the TetR protein?

In Silico Adoption of an Orphan Nuclear Receptor NR4A1

Induction of the tetracycline repressor: characterization by molecular-dynamics simulations.

Intramolecular deactivation of substituted quinolinium cations. Time-resolved fluorescence and semi-empirical calculations

Modeling the similarity and divergence of dopamine D2-like receptors and identification of validated ligand-receptor complexes

Molecular Dynamics Characterization of the Structures and Induction Mechanisms of a Reverse Phenotype of the Tetracycline Receptor

Molecular Dynamics Simulations of the Effect of the G-Protein and Diffusible Ligands on the β2-Adrenergic Receptor

Molecular Dynamics Simulations of the Tetracycline-repressor Protein: The Mechanism of Induction

Molecular Mechanics

Molecular building kit of fused-proline-derived peptide mimetics allowing specific adjustment of the dihedral Psi angle

Molecular dynamics simulation links conformation of a pore-flanking region to hyperekplexia-related dysfunction of the inhibitory glycine receptor.

Monitoring Biological Membrane-Potential Changes: A CI QM/MM Study

Progesterone 5β-reductases/iridoid synthases (PRISE): gatekeeper role of highly conserved phenylalanines in substrate preference and trapping is supported by molecular dynamics simulations

SCRF-DFT and NMR comparison of tetracycline and 5a,6-anhydrotetracycline in solution

Simulating FRET from tryptophan: is the rotamer model correct?

Solvent relaxation behaviour of n-anthroyloxy fatty acids in PC-vesicles and paraffin oil: a time-resolved emission spectra study

Structural Changes and Binding Characteristics of the Tetracycline-Repressor Binding Site on Induction

Structural Insight into the Prolyl Hydroxylase PHD2: A Molecular Dynamics and DFT Study

Structural variations of piritrexim, a lipophilic inhibitor of human dihydrofolate reductase: synthesis, antitumor activity and molecular modeling investigations

Systematic surface scan of the most favorable interaction sites of magnesium ions with tetracycline

The structure of 5a,6–anhydrotetracycline and its Mg2+ complexes in aqueous solution

Therapeutic Implications of the IL-21: IL-4 Receptor System in Children with Common Variable Immunodeficiency Syndrome

Three-dimensional modeling of a pre-B-cell receptor