Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development
van Westen, Gerard J P, Wegner, Jörg K, Geluykens, Peggy, Kwanten, Leen, Vereycken, Inge, Peeters, Anik, Ijzerman, Adriaan P, van Vlijmen, Herman W T, Bender, Andreas
Published in PloS one (23.11.2011)
Published in PloS one (23.11.2011)
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Journal Article
Discovery and Selection of TMC114, a Next Generation HIV-1 Protease Inhibitor
Surleraux, Dominique L. N. G, Tahri, Abdellah, Verschueren, Wim G, Pille, Geert M. E, de Kock, Herman A, Jonckers, Tim H. M, Peeters, Anik, De Meyer, Sandra, Azijn, Hilde, Pauwels, Rudi, de Bethune, Marie-Pierre, King, Nancy M, Prabu-Jeyabalan, Moses, Schiffer, Celia A, Wigerinck, Piet B. T. P
Published in Journal of medicinal chemistry (24.03.2005)
Published in Journal of medicinal chemistry (24.03.2005)
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Journal Article
Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in Human Immunodeficiency Virus Type 1 Protease
NALAM, Madhavi N. L, PEETERS, Anik, JONCKERS, Tim H. M, DIERYNCK, Inge, SCHILFER, Celia A
Published in Journal of Virology (01.09.2007)
Published in Journal of Virology (01.09.2007)
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Journal Article
Ab Initio Geometry Determinations of Proteins. 1. Crambin
Van Alsenoy, Christian, Yu, Ching-Hsing, Peeters, Anik, Martin, Jan M. L, Schäfer, Lothar
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.03.1998)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (19.03.1998)
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Journal Article
Ab initio investigation of the Young's modulus of polyamide-6
Peeters, Anik, Van Alsenoy, C., Bartha, F., Bogár, F., Zhang, M.-L., Van Doren, V.
Published in International journal of quantum chemistry (2003)
Published in International journal of quantum chemistry (2003)
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Journal Article
Synthesis of novel diarylpyrimidine analogues of TMC278 and their antiviral activity against HIV-1 wild-type and mutant strains
Mordant, Céline, Schmitt, Benoit, Pasquier, Elisabeth, Demestre, Christophe, Queguiner, Laurence, Masungi, Chantal, Peeters, Anik, Smeulders, Liesbeth, Bettens, Eva, Hertogs, Kurt, Heeres, Jan, Lewi, Paul, Guillemont, Jerome
Published in European journal of medicinal chemistry (01.05.2007)
Published in European journal of medicinal chemistry (01.05.2007)
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Journal Article
Conformational Analysis of TMC114, a Novel HIV-1 Protease Inhibitor
Nivesanond, Kanda, Peeters, Anik, Lamoen, Dirk, Van Alsenoy, Christian
Published in Journal of chemical information and modeling (01.01.2008)
Published in Journal of chemical information and modeling (01.01.2008)
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Journal Article
Design of HIV-1 Protease Inhibitors Active on Multidrug-Resistant Virus
Surleraux, Dominique L. N. G, de Kock, Herman A, Verschueren, Wim G, Pille, Geert M. E, Maes, Louis J. R, Peeters, Anik, Vendeville, Sandrine, De Meyer, Sandra, Azijn, Hilde, Pauwels, Rudi, de Bethune, Marie-Pierre, King, Nancy M, Prabu-Jeyabalan, Moses, Schiffer, Celia A, Wigerinck, Piet B. T. P
Published in Journal of medicinal chemistry (24.03.2005)
Published in Journal of medicinal chemistry (24.03.2005)
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Journal Article
A Linearly Scaling QM/MM Method to Study Molecular Crystals Using BRABO/CHARMM: Application to 2-(2-Methyl-3-chloroanilino) Nicotinic Acid
Swerts, Ben, Van Droogenbroeck, Joris, Peeters, Anik, Van Alsenoy, Christian
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.04.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (25.04.2002)
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Journal Article
Boron B12 Cluster Embedded in Graphitic Fragments
Peeters, Anik, Van Alsenoy, C, March, N. H, Klein, D. J, Van Doren, V. E
Published in The journal of physical chemistry. B (01.11.2001)
Published in The journal of physical chemistry. B (01.11.2001)
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Journal Article
Boron B 12 Cluster Embedded in Graphitic Fragments
Peeters, Anik, Van Alsenoy, C., March, N. H., Klein, D. J., Van Doren, V. E.
Published in The journal of physical chemistry. B (01.11.2001)
Published in The journal of physical chemistry. B (01.11.2001)
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Journal Article
Solids Modeled by ab Initio Crystal-Field Methods. 12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice
Peeters, Anik, De Maeyer, Erna A. P, Van Alsenoy, Christian, Verbeeck, Ronald M. H
Published in The journal of physical chemistry. B (15.05.1997)
Published in The journal of physical chemistry. B (15.05.1997)
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Journal Article
Ab initio calculation of the Young's modulus of α-polyamides
Peeters, Anik, Van Alsenoy, C., Bartha, F., Bogár, F., Zhang, M.-L., Van Doren, V. E.
Published in International journal of quantum chemistry (2002)
Published in International journal of quantum chemistry (2002)
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Journal Article
Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptides
Schafer, Lothar, Newton, Susan Q, Cao, Ming, Peeters, Anik, Van Alsenoy, C, Wolinski, Krzysztof, Momany, Frank A
Published in Journal of the American Chemical Society (01.01.1993)
Published in Journal of the American Chemical Society (01.01.1993)
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Journal Article
brabo: a program for ab initio studies on large molecular systems
Van Alsenoy, Christian, Peeters, Anik
Published in Journal of molecular structure. Theochem (29.10.1993)
Published in Journal of molecular structure. Theochem (29.10.1993)
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Journal Article