UB Paderborn / Katalog / Suche / in CDI

Discovery and Selection of TMC114, a Next Generation HIV-1 Protease Inhibitor

Journal of medicinal chemistry, 2005-03, Vol.48 (6), p.1813-1822

2005

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Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development

PloS one, 2011-11, Vol.6 (11), p.e27518-e27518

2011

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Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in Human Immunodeficiency Virus Type 1 Protease

Journal of Virology, 2007-09, Vol.81 (17), p.9512-9518

2007

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Ab Initio Geometry Determinations of Proteins. 1. Crambin

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1998-03, Vol.102 (12), p.2246-2251

1998

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Synthesis of novel diarylpyrimidine analogues of TMC278 and their antiviral activity against HIV-1 wild-type and mutant strains

European journal of medicinal chemistry, 2007-05, Vol.42 (5), p.567-579

2007

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Ab initio investigation of the Young's modulus of polyamide-6

International journal of quantum chemistry, 2003, Vol.91 (1), p.32-38

2003

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Conformational Analysis of TMC114, a Novel HIV-1 Protease Inhibitor

Journal of chemical information and modeling, 2008-01, Vol.48 (1), p.99-108

2008

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Design of HIV-1 Protease Inhibitors Active on Multidrug-Resistant Virus

Journal of medicinal chemistry, 2005-03, Vol.48 (6), p.1965-1973

2005

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Ab Initio and Molecular Dynamics Study of the Active Site of the Reaction between Ribonuclease A and Cytidyl-3‘,5‘-Adenosine

The journal of physical chemistry. B, 2003-05, Vol.107 (20), p.4871-4878

2003

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A Linearly Scaling QM/MM Method to Study Molecular Crystals Using BRABO/CHARMM: Application to 2-(2-Methyl-3-chloroanilino) Nicotinic Acid

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2002-04, Vol.106 (16), p.4245-4250

2002

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Antiviral Drug Strategies

1, 2011

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Ab initio conformational analysis of N -formyl l -alanine amide including electron correlation

Journal of molecular structure, 2001-06, Vol.567-568, p.361-374

2001

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Boron B12 Cluster Embedded in Graphitic Fragments

The journal of physical chemistry. B, 2001-11, Vol.105 (43), p.10546-10553

2001

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Boron B 12 Cluster Embedded in Graphitic Fragments

The journal of physical chemistry. B, 2001-11, Vol.105 (43), p.10546-10553

2001

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Ab initio study of the reaction mechanism of ribonuclease A with cytidyl-3′,5′-adenosine. I. Geometry optimization of cytidyl-3′,5′-adenosine

BIOPOLYM, 1999-12, Vol.50 (7), p.697-704

1999

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Solids Modeled by ab Initio Crystal-Field Methods. 12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice

The journal of physical chemistry. B, 1997-05, Vol.101 (20), p.3995-3998

1997

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Solids modeled by ab initio crystal field methods. X. Structure of α-glycine, β-glycine, and γ-glycine using a 15-molecule cluster

The Journal of chemical physics, 1995-10, Vol.103 (15), p.6608-6616

1995

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Ab initio calculation of the Young's modulus of α-polyamides

International journal of quantum chemistry, 2002, Vol.87 (5), p.303-310

2002

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Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptides

Journal of the American Chemical Society, 1993-01, Vol.115 (1), p.272-280

1993

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On the use of supermolecule model for calculation of Young's modulus of crystalline polymers

International journal of quantum chemistry, 2000, Vol.80 (3), p.425-431

2000

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The AB Initio MIA Method: Theoretical Development and Practical Applications

Peeters, Anik

1994

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brabo: a program for ab initio studies on large molecular systems

Journal of molecular structure. Theochem, 1993-10, Vol.286, p.19-34

1993

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Ab initio studies of crystal field effects. VII. Structure of 2,3-diketopiperazine using a 13-molecule cluster, a calculation involving 1092 basis functions

International journal of quantum chemistry, 1993, Vol.46 (1), p.73-80

1993

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From Saquinavir to Darunavir: The Impact of 10 Years of Medicinal Chemistry on a Lethal Disease

Antiviral Drug Strategies, 2011, Vol.50, p.73-90

2011

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Ab initio studies of crystal field effects

Journal of molecular structure. Theochem, 1994-02, Vol.304 (2), p.101-107

1994

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Discovery and Selection of TMC114, a Next Generation HIV-1 Protease Inhibitor

Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development

Crystal Structure of Lysine Sulfonamide Inhibitor Reveals the Displacement of the Conserved Flap Water Molecule in Human Immunodeficiency Virus Type 1 Protease

Ab Initio Geometry Determinations of Proteins. 1. Crambin

Synthesis of novel diarylpyrimidine analogues of TMC278 and their antiviral activity against HIV-1 wild-type and mutant strains

Ab initio investigation of the Young's modulus of polyamide-6

Conformational Analysis of TMC114, a Novel HIV-1 Protease Inhibitor

Design of HIV-1 Protease Inhibitors Active on Multidrug-Resistant Virus

Ab Initio and Molecular Dynamics Study of the Active Site of the Reaction between Ribonuclease A and Cytidyl-3‘,5‘-Adenosine

A Linearly Scaling QM/MM Method to Study Molecular Crystals Using BRABO/CHARMM: Application to 2-(2-Methyl-3-chloroanilino) Nicotinic Acid

Antiviral Drug Strategies

Ab initio conformational analysis of N -formyl l -alanine amide including electron correlation

Boron B12 Cluster Embedded in Graphitic Fragments

Boron B 12 Cluster Embedded in Graphitic Fragments

Ab initio study of the reaction mechanism of ribonuclease A with cytidyl-3′,5′-adenosine. I. Geometry optimization of cytidyl-3′,5′-adenosine

Solids Modeled by ab Initio Crystal-Field Methods. 12. Structure, Orientation, and Position of A-Type Carbonate in a Hydroxyapatite Lattice

Solids modeled by ab initio crystal field methods. X. Structure of α-glycine, β-glycine, and γ-glycine using a 15-molecule cluster

Ab initio calculation of the Young's modulus of α-polyamides

Evaluation of the dipeptide approximation in peptide modeling by ab initio geometry optimizations of oligopeptides

On the use of supermolecule model for calculation of Young's modulus of crystalline polymers

The AB Initio MIA Method: Theoretical Development and Practical Applications

brabo: a program for ab initio studies on large molecular systems

Ab initio studies of crystal field effects. VII. Structure of 2,3-diketopiperazine using a 13-molecule cluster, a calculation involving 1092 basis functions

From Saquinavir to Darunavir: The Impact of 10 Years of Medicinal Chemistry on a Lethal Disease

Ab initio studies of crystal field effects

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