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Three Dimensional Pharmacophore Modeling of Human CYP17 Inhibitors. Potential Agents for Prostate Cancer Therapy

Journal of medicinal chemistry, 2003-06, Vol.46 (12), p.2345-2351

2003

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Molecular Mechanics Study of Oligomeric Models for Poly(ferrocenylsilanes) Using the Extensible Systematic Forcefield (ESFF)

Journal of the American Chemical Society, 1996-08, Vol.118 (32), p.7578-7592

1996

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Bridging Hydroxyl Groups in Faujasite: Periodic vs Cluster Density Functional Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 1999-05, Vol.103 (19), p.3772-3777

1999

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Understanding γ-MnO2 by molecular modeling

Journal of solid state chemistry, 2004, Vol.177 (1), p.165-175

2004

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Thermal expansion, diffusion and melting of Li2O using a compact forcefield derived from ab initio molecular dynamics

Modelling and simulation in materials science and engineering, 2014-10, Vol.22 (7)

2014

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Thermal expansion, diffusion and melting of Li sub(2)O using a compact forcefield derived from ab initio molecular dynamics

Modelling and simulation in materials science and engineering, 2014-10, Vol.22 (7)

2014

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Thermal expansion, diffusion and melting of Li 2 O using a compact forcefield derived from ab initio molecular dynamics

Modelling and simulation in materials science and engineering, 2014-10, Vol.22 (7), p.75009

2014

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Use of Force Fields in Materials Modeling

Reviews in Computational Chemistry, 2000-01, p.141-216

2000

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De Novo Prediction of Inorganic Structures Developed through Automated Assembly of Secondary Building Units (AASBU Method)

Angewandte Chemie (International ed.), 2000-07, Vol.39 (13), p.2270-2275

2000

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Computer simulation studies of the selectivity of zeolites for different butene isomers

Catalysis letters, 1999-01, Vol.60 (1-2), p.77-81

1999

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Simulating and predicting crystal structures

Proceedings of the Royal Society. A, Mathematical and physical sciences, 1993-07, Vol.442 (1914), p.85-96

1993

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Understanding γ-MnO 2 by molecular modeling

Journal of solid state chemistry, 2004, Vol.177 (1), p.165-175

2004

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Computing the location and energetics of organic molecules in microporous adsorbents and catalysts: a hybrid approach applied to isometric butenes in a model zeolite

Chemical physics letters, 1991-11, Vol.186 (2), p.137-142

1991

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Prediction of template location via a combined Monte Carlo–simulated annealing approach

Journal of the Chemical Society. Faraday transactions, 1996-06, Vol.92 (12), p.2065-2073

1996

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Voraussage anorganischer Strukturen durch automatisierte Anordnung von Sekundärbausteinen (AASBU-Verfahren)

Angewandte Chemie, 2000-07, Vol.112 (13), p.2358-2363

2000

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Accelerated approach to non-framework cation placement in crystalline materials

Faraday discussions, 1997, Vol.106, p.489-494

1997

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Atomistic simulation studies of technologically important oxides

J. Chem. Soc., Faraday Trans. II, 1989, Vol.85 (5), p.367-383

1989

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Computational Prediction of Mechanical Properties of Glassy Polymer Blends and Thermosets

Advanced Composites for Aerospace, Marine, and Land Applications, p.157-171

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Voraussage anorganischer Strukturen durch automatisierte Anordnung von Sekundärbausteinen (AASBU‐Verfahren)

Angewandte Chemie, 2000-07, Vol.112 (13), p.2358-2363

2000

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ChemInform Abstract: Molecular Simulations in Heterogeneous Catalysis

ChemInform, 1999-11, Vol.30 (46), p.no-no

1999

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Engagement of the PD-1 immunoinhibitory receptor by a novel B7 family member leads to negative regulation of lymphocyte activation

The Journal of experimental medicine, 2000-10, Vol.192 (7), p.1027-1034

2000

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PD‐1:PD‐L inhibitory pathway affects both CD4+ and CD8+ T cells and is overcome by IL‐2

European journal of immunology, 2002-03, Vol.32 (3), p.634-643

2002

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Blockade of Programmed Death-1 Ligands on Dendritic Cells Enhances T Cell Activation and Cytokine Production

The Journal of immunology (1950), 2003-02, Vol.170 (3), p.1257-1266

2003

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PD-L2 is a second ligand for PD-1 and inhibits T cell activation

Nature immunology, 2001-03, Vol.2 (3), p.261-268

2001

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Comparison of the two most commonly used treatments for pyoderma gangrenosum: results of the STOP GAP randomised controlled trial

BMJ (Online), 2015-06, Vol.350 (jun12 3), p.h2958-h2958

2015

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Three Dimensional Pharmacophore Modeling of Human CYP17 Inhibitors. Potential Agents for Prostate Cancer Therapy

Molecular Mechanics Study of Oligomeric Models for Poly(ferrocenylsilanes) Using the Extensible Systematic Forcefield (ESFF)

Bridging Hydroxyl Groups in Faujasite: Periodic vs Cluster Density Functional Calculations

Understanding γ-MnO2 by molecular modeling

Thermal expansion, diffusion and melting of Li2O using a compact forcefield derived from ab initio molecular dynamics

Thermal expansion, diffusion and melting of Li sub(2)O using a compact forcefield derived from ab initio molecular dynamics

Thermal expansion, diffusion and melting of Li 2 O using a compact forcefield derived from ab initio molecular dynamics

Use of Force Fields in Materials Modeling

De Novo Prediction of Inorganic Structures Developed through Automated Assembly of Secondary Building Units (AASBU Method)

Computer simulation studies of the selectivity of zeolites for different butene isomers

Simulating and predicting crystal structures

Understanding γ-MnO 2 by molecular modeling

Computing the location and energetics of organic molecules in microporous adsorbents and catalysts: a hybrid approach applied to isometric butenes in a model zeolite

Prediction of template location via a combined Monte Carlo–simulated annealing approach

Voraussage anorganischer Strukturen durch automatisierte Anordnung von Sekundärbausteinen (AASBU-Verfahren)

Accelerated approach to non-framework cation placement in crystalline materials

Atomistic simulation studies of technologically important oxides

Computational Prediction of Mechanical Properties of Glassy Polymer Blends and Thermosets

Voraussage anorganischer Strukturen durch automatisierte Anordnung von Sekundärbausteinen (AASBU‐Verfahren)

ChemInform Abstract: Molecular Simulations in Heterogeneous Catalysis

Engagement of the PD-1 immunoinhibitory receptor by a novel B7 family member leads to negative regulation of lymphocyte activation

PD‐1:PD‐L inhibitory pathway affects both CD4+ and CD8+ T cells and is overcome by IL‐2

Blockade of Programmed Death-1 Ligands on Dendritic Cells Enhances T Cell Activation and Cytokine Production

PD-L2 is a second ligand for PD-1 and inhibits T cell activation

Comparison of the two most commonly used treatments for pyoderma gangrenosum: results of the STOP GAP randomised controlled trial

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