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List of works by Hans-Dieter Höltje

A combined QM/MM approach to protein--ligand interactions: polarization effects of the HIV-1 protease on selected high affinity inhibitors

scientific article published in December 2004

A model of the human M2 muscarinic acetylcholine receptor

scientific article

Allosteric site on muscarinic acetylcholine receptors: identification of two amino acids in the muscarinic M2 receptor that account entirely for the M2/M5 subtype selectivities of some structurally diverse allosteric ligands in N-methylscopolamine-o

scientific article

Allosteric small molecules unveil a role of an extracellular E2/transmembrane helix 7 junction for G protein-coupled receptor activation

scientific article published on 21 September 2007

Alpha-lipoic acid as a directly binding activator of the insulin receptor: protection from hepatocyte apoptosis

scientific journal article

An indole-binding site is a major determinant of the ligand specificity of the GABA type A receptor-associated protein GABARAP.

scientific article published in July 2008

Antitumor effects of guanosine-analog phosphonates identified by molecular modelling

scientific article published on 25 June 2010

Comparison of a 3D-model of the classical alpha-scorpion toxin V from Leiurus quinquestriatus quinquestriatus with other scorpion toxins

scientific article published in February 2004

Design, synthesis, inhibition studies, and molecular modeling of pepstatin analogues addressing different secreted aspartic proteinases of Candida albicans

scientific article

Different environments for a realistic simulation of GPCRs-application to the M2 muscarinic receptor.

scientific article

Distant collaboration in drug discovery: the LINK3D project

scientific article

Dualsteric GPCR targeting: a novel route to binding and signaling pathway selectivity

scientific article published on 8 October 2008

Glucocorticoid receptor interactions with glucocorticoids: evaluation by molecular modeling and functional analysis of glucocorticoid receptor mutants

scientific article

Human polymerase alpha inhibitors for skin tumors. Part 2. Modeling, synthesis and influence on normal and transformed keratinocytes of new thymidine and purine derivatives

scientific article published on April 2010

Human topoisomerase I poisoning: docking protoberberines into a structure-based binding site model

scientific article published in December 2004

Identification of Glu166 as the general base in the acylation reaction of class A beta-lactamases through QM/MM modeling

scientific article published in August 2003

Integrin specificity of the cyclic Arg-Gly-Asp motif and its role in integrin-targeted gene transfer

scientific article published on December 2004

Interactions of gallic acid, resveratrol, quercetin and aspirin at the platelet cyclooxygenase-1 level. Functional and modelling studies

scientific article published in August 2009

Kappa-opioid receptor model in a phospholipid bilayer: molecular dynamics simulation

scientific article published in October 2002

Key determinants of nucleotide-activated G protein-coupled P2Y(2) receptor function revealed by chemical and pharmacological experiments, mutagenesis and homology modeling

scientific article published on May 2009

Mechanisms of antibiotic resistance: QM/MM modeling of the acylation reaction of a class A beta-lactamase with benzylpenicillin

scientific article published in March 2005

Metalloporphyrins inactivate caspase-3 and -8.

scientific article published in August 2005

Molecular design of two sterol 14alpha-demethylase homology models and their interactions with the azole antifungals ketoconazole and bifonazole

scientific article published in March 2005

Molecular dynamics simulations of bovine rhodopsin: influence of protonation states and different membrane-mimicking environments

scientific article

Molecular mechanisms of antibiotic resistance: QM/MM modelling of deacylation in a class A beta-lactamase

scientific article published on 9 December 2005

Molecular modeling and QSAR studies on K(ATP) channel openers of the benzopyran type

scientific article published in August 2002

Molecular modelling studies of new potential human DNA polymerase α inhibitors

scientific article published on 20 October 2010

Molecular modelling studies on the ORL1-receptor and ORL1-agonists

scientific article

N-(omega-(4-(2-methoxyphenyl)piperazin-1-yl)alkyl)carboxamides as dopamine D2 and D3 receptor ligands

scientific article published in August 2003

Pharmacophore definition and three-dimensional quantitative structure-activity relationship study on structurally diverse prostacyclin receptor agonists

scientific article published in November 2002

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