A computational model of the inhibition of Mycobacterium tuberculosis ATPase by a new drug candidate R207910
de Jonge, Marc R., Koymans, Luc H.M., Guillemont, Jérôme E.G., Koul, Anil, Andries, Koen
Published in Proteins, structure, function, and bioinformatics (01.06.2007)
Published in Proteins, structure, function, and bioinformatics (01.06.2007)
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Journal Article
In Search of a Novel Anti-HIV Drug: Multidisciplinary Coordination in the Discovery of 4-[[4-[[4-[(1E)-2-Cyanoethenyl]-2,6-dimethylphenyl]amino]-2- pyrimidinyl]amino]benzonitrile (R278474, Rilpivirine)
Janssen, Paul A. J, Lewi, Paul J, Arnold, Eddy, Daeyaert, Frits, de Jonge, Marc, Heeres, Jan, Koymans, Luc, Vinkers, Maarten, Guillemont, Jérôme, Pasquier, Elisabeth, Kukla, Mike, Ludovici, Don, Andries, Koen, de Béthune, Marie-Pierre, Pauwels, Rudi, Das, Kalyan, Clark, Art D, Frenkel, Yulia Volovik, Hughes, Stephen H, Medaer, Bart, De Knaep, Fons, Bohets, Hilde, De Clerck, Fred, Lampo, Ann, Williams, Peter, Stoffels, Paul
Published in Journal of medicinal chemistry (24.03.2005)
Published in Journal of medicinal chemistry (24.03.2005)
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Journal Article
Amino Acid Substitutions in the Cytochrome P-450 Lanosterol 14α-Demethylase (CYP51A1) from Azole-Resistant Candida albicans Clinical Isolates Contribute to Resistance to Azole Antifungal Agents
SANGLARD, D, ISCHER, F, KOYMANS, L, BILLE, J
Published in Antimicrobial Agents and Chemotherapy (01.02.1998)
Published in Antimicrobial Agents and Chemotherapy (01.02.1998)
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Journal Article
Structure of HIV-1 RT/TIBO R 86183 complex reveals similarity in the binding of diverse nonnucleoside inhibitors
Ding, J, Das, K, Moereels, H, Koymans, L, Andries, K, Janssen, P A, Hughes, S H, Arnold, E
Published in Nature structural biology (01.05.1995)
Published in Nature structural biology (01.05.1995)
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Journal Article
Molecular pharmacology of vitamin E: Structural aspects of antioxidant activity
van Acker, Saskia A.B.E., Koymans, Luc M.H., Bast, Aalt
Published in Free Radical Biology and Medicine (01.09.1993)
Published in Free Radical Biology and Medicine (01.09.1993)
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Book Review
Journal Article
Aromatase inhibitors--mechanisms for non-steroidal inhibitors
Vanden Bossche, H V, Moereels, H, Koymans, L M
Published in Breast cancer research and treatment (1994)
Published in Breast cancer research and treatment (1994)
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Journal Article
The alpha and omega of G protein-coupled receptors. A novel method for classification
Moereels, H, Lewi, P J, Koymans, L M, Janssen, P A
Published in Annals of the New York Academy of Sciences (30.05.1997)
Published in Annals of the New York Academy of Sciences (30.05.1997)
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Journal Article
A molecular model for the interaction between vorozole and other non-steroidal inhibitors and human cytochrome P450 19 ( P450 Aromatase)
Koymans, Luc M.H., Moereels, Henri, Bossche, Hugo Vanden
Published in Journal of steroid biochemistry and molecular biology (01.06.1995)
Published in Journal of steroid biochemistry and molecular biology (01.06.1995)
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Journal Article
Conference Proceeding
Contribution of mutations in the cytochrome P450 14α-demethylase (Erg11p, Cyp51p) to azole resistance in Candida albicans
MARICHAL, P, KOYMANS, L, WILLEMSENS, S, BELLENS, D, VERHASSELT, P, LUYTEN, W, BORGERS, M, RAMAEKERS, F. C. S, ODDS, F. C, BOSSCHE, H. V
Published in Microbiology (Society for General Microbiology) (01.10.1999)
Published in Microbiology (Society for General Microbiology) (01.10.1999)
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Journal Article
An ant algorithm for the conformational analysis of flexible molecules
Daeyaert, Frits, De Jonge, Marc, Koymans, Luc, Vinkers, Maarten
Published in Journal of computational chemistry (15.04.2007)
Published in Journal of computational chemistry (15.04.2007)
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Journal Article
A pharmacophore docking algorithm and its application to the cross-docking of 18 HIV-NNRTI's in their binding pockets
Daeyaert, Frits, de Jonge, Marc, Heeres, Jan, Koymans, Luc, Lewi, Paul, Vinkers, Maarten H., Janssen, Paul A.J.
Published in Proteins, structure, function, and bioinformatics (15.02.2004)
Published in Proteins, structure, function, and bioinformatics (15.02.2004)
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Journal Article
Crystal Structures of 8-Cl and 9-Cl TIBO Complexed with Wild-type HIV-1 RT and 8-Cl TIBO Complexed with the Tyr181Cys HIV-1 RT Drug-resistant Mutant
Das, Kalyan, Ding, Jianping, Hsiou, Yu, Clark, Arthur D., Moereels, Henri, Koymans, Luc, Andries, Koen, Pauwels, Rudi, Janssen, Paul A.J., Boyer, Paul L., Clark, Patrick, Smith, Richard H., Kroeger Smith, Marilyn B., Michejda, Christopher J., Hughes, Stephen H., Arnold, Edward
Published in Journal of molecular biology (20.12.1996)
Published in Journal of molecular biology (20.12.1996)
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Journal Article
On the detection of multiple-binding modes of ligands to proteins, from biological, structural, and modeling data
Lewi, Paul J, de Jonge, Marc, Daeyaert, Frits, Koymans, Luc, Vinkers, Maarten, Heeres, Jan, Janssen, Paul A J, Arnold, Eddy, Das, Kalyan, Clark, Jr, Art D, Hughes, Stephen H, Boyer, Paul L, de Béthune, Marie-Pierre, Pauwels, Rudi, Andries, Koen, Kukla, Mike, Ludovici, Donald, De Corte, Bart, Kavash, Robert, Ho, Chih, Lewis, Paul J
Published in Journal of computer-aided molecular design (01.02.2003)
Published in Journal of computer-aided molecular design (01.02.2003)
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Journal Article
A predictive model for substrates of cytochrome P450-debrisoquine (2D6)
Koymans, Luc, Vermeulen, Nico P. E, Van Acker, Saskia A. B. E, Te Koppele, Johan M, Heykants, Jos J. P, Lavrijsen, Karel, Meuldermans, Willem, Donne-Op den Kelder, Gabrielle M
Published in Chemical research in toxicology (01.03.1992)
Published in Chemical research in toxicology (01.03.1992)
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Journal Article
Molecular modeling studies of HIV‐1 reverse transcriptase nonnucleoside inhibitors: Total energy of complexation as a predictor of drug placement and activity
Kroeger Smith, Marilyn B., Hughes, Stephen H., Boyer, Paul L., Michejda, Christopher J., Rouzer, Carol A., Taneyhill, Lisa A., Smith, Richard H., Smith, Nathan A., Janssen, Paul A.J., Moereels, Henri, Koymans, Luc, Arnold, Edward, Ding, Jianping, Das, Kalyan, Zhang, Wanyi
Published in Protein science (01.10.1995)
Published in Protein science (01.10.1995)
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Journal Article
Inventory of the cytochrome P450 superfamily
Archakov, Alexander, Lisitsa, Andrey, Gusev, Semen, Koymans, Luc, Janssen, Paul
Published in Journal of molecular modeling (01.01.2001)
Published in Journal of molecular modeling (01.01.2001)
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Journal Article
Contribution of mutations in the cytochrome P450 14{alpha}-demethylase (Erg11p, Cyp51p) to azole resistance in Candida albicans
Marichal, Patrick, Koymans, Luc, Willemsens, Staf, Bellens, Danny, Verhasselt, Peter, Luyten, Walter, Borgers, Marcel, Ramaekers, Frans C. S, Odds, Frank C, Vanden Bossche, Hugo
Published in Microbiology (Society for General Microbiology) (01.10.1999)
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Published in Microbiology (Society for General Microbiology) (01.10.1999)
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