2002

Originalarbeiten

R. Ghosh und H.-D. Höltje
In Silico HTS for New Drug Candidates
CHEManager:Screening, Trends in Drug Discovery, Vol. 3,Feb. I/2002

U. Uhrig, H.-D. Höltje R. Mannhold, H. Weber, H. Lemoine
Molecular Modeling and QSAR studies on KATP channel openers of the Benzopyran Type
Journal of Molecular Graphics and Modelling 21, 37-45 (2002)

M. Iadanza, M. Höltje, G. Ronsisvalle und H.-D. Höltje
A k-Opiood Receptor Model in a phospholipid Bilayer: Molecular Dynamics Simulation
Journal of Medicinal Chemistry 45, 4838-4846 (2002)

H.-D. Höltje, F. Stoll, R. Ghosh, G. Stahl und M. Höltje
New Methods in Drug Research
Pharm. Ind. 64, 8a, 838-844 (2002)

M. Pastor, P. Benedetti, A. Carotti, C. Diaz, C. Herraiz, H.-D. Höltje, M.I. Loza, T. Oprea, F. Padin, F. Pubill, F. Sanz, F. Stoll and the LINK3D Consortium
DISTANT COLLABORATION IN DRUG DISCOVERY: THE LINK3D PROJECT
Journal of Computer Aided Molecular Design 16, 809 - 818 (2002)

M.L. Barreca, J. Balzarini, A. Chimirri, E. De Clercq, L. De Luca, H.-D. Höltje, M. Höltje, A.M. Monforte, P. Monforte, C. Pannecouque, A. Rao and M. Zapallà
Design, Synthesis, Structure-Activity Relationships, and Molecular Modeling Studies of 2,3-Diaryl-1,3-thiazolidin-4-ones as Potent Anti-HIV Agents
J. Med. Chem. 45, 5410-5413 (2002)

F. Stoll, S. Liesener, T. Hohlfeld, K. Schrör, P.L. Fuchs, H.-D. Höltje
Pharmacophore Definition and Three-Dimensional Quantitative Structure-Activity Relationship Study on Structurally Diverse Prostacyclin Receptor Agonists
Mol. Pharmacol 62, 1103-1111 (2002)

K. Jöhren and H.-D. Höltje
A model of the human M2 muscarinic acetylcholine receptor
Journal of Computer Aided Molecular Design 16,795-801 (2002)

Abstracts

K. Jöhren und H.-D. Höltje
MODELLING AN ALLOSTERIC BINDING SITE OF THE M2 MUSCARINIC ACETYLCHOLINE RECEPTOR
"Dissecting G-Protein-Coupled Receptors: Structure, Function, and Ligand Iteraction" / Wiesbaden
24.-26. Januar 2002

B. Bröer, M. Gurrath und H.-D. Höltje
Molecular Modelling Studies on the ORL1-Receptor
"Dissecting G-Protein-Coupled Receptors: Structure, Function, and Ligand Iteraction" / Wiesbaden
24.-26. Januar 2002

R. Ghosh, A. Hackling, W. Sippl, H. Stark und H.-D. Höltje
Molecular Modelling Studies on Dopamine D3 Receptor Ligands "Dissecting G-Protein-Coupled Receptors: Structure, Function, and Ligand Iteraction" / Wiesbaden
24.-26. Januar 2002

B. Bröer, M. Gurrath und H.-D. Höltje
Molecular Modelling Studies on the ORL1-Receptor
"European Graduate Student Meeting"
8.-10.2.02, Frankfurt/Main

C. Hensen und H.-D. Höltje
Computational Investigations of Aspartyl Protease Inhibitors
"European Graduate Student Meeting"
8.-10.2.02, Frankfurt/Main

A. Hombrecher und H.-D. Höltje
Prediction of Drug Lipophilicities based on Molecular Dynamics SSimulations
"European Graduate Student Meeting"
8.-10.2.02, Frankfurt/Main

G. Menche und H.-D. Höltje
Molecular Modelling Study on Chiral Discrimination in HPLC
"European Graduate Student Meeting"
8.-10.2.02, Frankfurt/Main

S. Hammer, I. Spika, G. Jessen, H.-D. Höltje,M. Schäfer-Korting
Glucocorticoid-Receptor Interactions: Evaluation by Molecular Modeling and Transactivation of Wild Type and Mutant Receptors
"43. Frühjahrstagung der DGPT"
12.3.-14.3.02, Mainz

A. Vollbrecht, K.-J. Schleifer und H.-D. Höltje
1,4Dihydropyridine und Calciumkanäle: eine Molecular Modelling Studie
"Spring-Symposium of the GDCh-JungChemikerForum"
13.3.-15.3.02, Aachen

D. Classen-Houben, W. Sippl und H.-D. Höltje
Molecular Modelling Untersuchungen von Ligand/Rezeptor-Komplexen der Protein-Tyrosin-Phosphatase 1B
"Spring-Symposium of the GDCh-JungChemikerForum"
13.3.-15.3.02, Aachen

D. Classen-Houben, W. Sippl und H.-D. Höltje
Molecular Modelling Untersuchungen von Ligand/Rezeptor-Komplexen der Protein-Tyrosin-Phosphatase 1B
"16. Darmstädter Molecular-Modelling-Workshop"
07.5.-08.5.02, Darmstadt

A. Hombrecher und H.-D. Höltje
Prediction of Drug Lipophilicities based on Molecular Dynamics SSimulations
"16. Darmstädter Molecular-Modelling-Workshop"
07.5.-08.5.02, Darmstadt

A. Vollbrecht, K.-J. Schleifer und H.-D. Höltje
1,4-Dihydropyridine und Calciumkanäle: eine Molecular Modelling Studie
"16. Darmstädter Molecular-Modelling-Workshop"
07.5.-08.5.02, Darmstadt

B. Rupp und H.-D.Höltje
Molecular dynamics simulation on insuline-dimer dissociation in aqueous environment
"International Symposium of the Volkswagenstiftung on "Isolated Molecules of Biological Interest"
Schloß Mickeln, Düsseldorf
27. Juni bis 1 Juli, 2001

B. Rupp und H.-D. Höltje
Molekül-Dynamische Studien zum Zerfall von Human-Insulin und Lys/Pro-Insulin-Dimeren
"16. Darmstädter Molecular-Modelling-Workshop"
07.5.-08.5.02, Darmstadt

K. Jöhren und H.-D. Höltje
Modelling an allosteric binding site of the M2 muscarinic acetylcholine receptor
"17th International Symposium on Medicinal Chemistry"
01.09.-05.09.

B. Bröer, M.Gurrath und H.-D. Höltje
Molecular Modelling Studies on the ORL1-Receptor
"17th International Symposium on Medicinal Chemistry"
01.09.-05.09.

J. Hermann und H.-D. Höltje
Computational Investigations on the Acylation of TEM1 Beta-Lactamase from E.Coli
"DPHG Jahrestagung Berlin 2002"
10.10.-12.10.

C. Hensen und H.-D. Höltje
Theoretical Investigations of Aspartyl Protease Inhibitors
"DPhG-Jahrestagung Berlin 2002"
10.10.-12.10.

S. Karkola, K. Wähälä, M. Höltje, H.-D. Höltje
Molecular Modeling of Aromatase using CYP2C5 as template Structure
"Int. Congress on Hormonal Steroids and Hormones and Cancer 2002"
21.10.-25.10. Fukuoka, Japan