Search Results

Rational ligand-based virtual screening and structure-activity relationship studies in the ligand-binding domain of the glucocorticoid receptor-α

Authors: Onnis, Valeria; Kinsella, Gemma K; Carta, Giorgio; Fayne, Darren; Lloyd, David G

Source: Future Medicinal Chemistry, Volume 1, Number 3, June 2009 , pp. 483-499(17)

Publisher: Future Science

Editorial [Hot topic: Exploring Novel Chemical Space Through the Use of Computational and Structural Biology (Guest Editor: Alan C. Rigby)]

Author: Rigby, Alan C.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 10, December 2009 , pp. 927-928(2)

Publisher: Bentham Science Publishers

Protein Structure Prediction in Structure-Based Ligand Design and Virtual Screening

Author: Grant, Marianne A.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 10, December 2009 , pp. 940-960(21)

Publisher: Bentham Science Publishers

Exploring Novel Target Space: A Need to Partner High Throughput Docking and Ligand-Based Similarity Searches?

Authors: Shanmugasundaram, Kumaran; Rigby, Alan C.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 10, December 2009 , pp. 984-999(16)

Publisher: Bentham Science Publishers

Structure-Based Virtual Ligand Screening: Recent Success Stories

Authors: Villoutreix, Bruno O.; Eudes, Richard; Miteva, Maria A.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 10, December 2009 , pp. 1000-1016(17)

Publisher: Bentham Science Publishers

Customizing G Protein-Coupled Receptor Models for Structure-Based Virtual Screening

Authors: de Graaf, Chris; Rognan, Didier

Source: Current Pharmaceutical Design, Volume 15, Number 35, December 2009 , pp. 4026-4048(23)

Publisher: Bentham Science Publishers

Rational structure-based drug design and optimization in the ligand-binding domain of the glucocorticoid receptor-α

Authors: Onnis, Valeria; Kinsella, Gemma K; Carta, Giorgio; Fayne, Darren; Lloyd, David G

Source: Future Medicinal Chemistry, Volume 1, Number 2, May 2009 , pp. 345-359(15)

Publisher: Future Science

Modeling Reality for Optimal Docking of Small Molecules to Biological Targets

Authors: Corbeil, Christopher R.; Therrien, Eric; Moitessier, Nicolas

Source: Current Computer - Aided Drug Design, Volume 5, Number 4, December 2009 , pp. 241-263(23)

Publisher: Bentham Science Publishers

Editorial [Hot topic: Structure- and Ligand-Based Drug Design: Advances and Perspectives (Guest Editor: Adriano D. Andricopulo)]

Author: Andricopulo, Adriano D.

Source: Current Topics in Medicinal Chemistry, Volume 9, Number 9, June 2009 , pp. 754-754(1)

Publisher: Bentham Science Publishers

Docking Screens: Right for the Right Reasons?

Authors: Kolb, Peter; Irwin, John J.

Source: Current Topics in Medicinal Chemistry, Volume 9, Number 9, June 2009 , pp. 755-770(16)

Publisher: Bentham Science Publishers

Recent Advances in NNRTI Design: Computer-Aided Molecular Design Approaches

Authors: Pungpo, Pornpan; Punkvang, Auradee; Saparpakorn, Patchreenart; Wolschann, Peter; Hannongbua, Supa

Source: Current Computer - Aided Drug Design, Volume 5, Number 3, September 2009 , pp. 174-199(26)

Publisher: Bentham Science Publishers

Mining free compound databases to identify candidates selected by virtual screening

Authors: Vasudevan, Sridhar R; Churchill, Grant C

Source: Expert Opinion on Drug Discovery, Volume 4, Number 9, September 2009 , pp. 901-906(6)

Publisher: Informa Healthcare

Design and in silico screening of inhibitors of the cholera toxin

Author: Zhang, Guangtao

Source: Expert Opinion on Drug Discovery, Volume 4, Number 9, September 2009 , pp. 923-938(16)

Publisher: Informa Healthcare

Computational Resources for Protein Modelling and Drug Discovery Applications

Authors: Dhaliwal, B.; Chen, Y. W.

Source: Infectious Disorders - Drug Targets(Formerly Current Drug Targets - Infectious Disorders), Volume 9, Number 5, October 2009 , pp. 557-562(6)

Publisher: Bentham Science Publishers

In Silico Screening of Novel Inhibitors for HPV: A Rational Structure Based Approach (Docking Versus Pharmacophore Model Generation)

Authors: Reshmi, G.; Pillai, M. R.

Source: Letters in Drug Design & Discovery, Volume 6, Number 7, October 2009 , pp. 494-501(8)

Publisher: Bentham Science Publishers

Docking and scoring: applications to drug discovery in the interactomics era

Authors: Grosdidier, Solène; Fernández-Recio, Juan

Source: Expert Opinion on Drug Discovery, Volume 4, Number 6, June 2009 , pp. 673-686(14)

Publisher: Informa Healthcare

Editorial [Hot Topic: Machine Learning for Virtual Screening (Part 2) (Guest Editor: Ovidiu Ivanciuc)]

Author: Ivanciuc, Ovidiu

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 5, June 2009 , pp. 451-452(2)

Publisher: Bentham Science Publishers

How Wrong Can We Get? A Review of Machine Learning Approaches and Error Bars

Authors: Schwaighofer, Anton; Schroeter, Timon; Mika, Sebastian; Blanchard, Gilles

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 5, June 2009 , pp. 453-468(16)

Publisher: Bentham Science Publishers

Editorial [Hot Topic: Machine Learning for Virtual Screening (Part 1) (Guest Editor: Ovidiu Ivanciuc)]

Author: Ivanciuc, Ovidiu

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 4, May 2009 , pp. 330-331(2)

Publisher: Bentham Science Publishers

Machine Learning in Virtual Screening

Authors: Melville, James L.; Burke, Edmund K.; Hirst, Jonathan D.

Source: Combinatorial Chemistry & High Throughput Screening, Volume 12, Number 4, May 2009 , pp. 332-343(12)

Publisher: Bentham Science Publishers