标题
Enabling future drug discovery by de novo
design
作者
关键词
-
出版物
Wiley Interdisciplinary Reviews-Computational Molecular Science
Volume 1, Issue 5, Pages 742-759
出版商
Wiley
发表日期
2011-06-28
DOI
10.1002/wcms.49
参考文献
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注意:仅列出部分参考文献,下载原文获取全部文献信息。- Reaction-drivende novodesign, synthesis and testing of potential type II kinase inhibitors
- (2011) Gisbert Schneider et al. Future Medicinal Chemistry
- Concepts and Applications of “Natural Computing” Techniques in De Novo Drug and Peptide Design
- (2010) Jan A. Hiss et al. CURRENT PHARMACEUTICAL DESIGN
- Computational Approaches for Fragment-Based and De Novo Design
- (2010) Kathryn Loving et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- De novodesign: balancing novelty and confined chemical space
- (2010) Peter S Kutchukian et al. Expert Opinion on Drug Discovery
- GARLig: A Fully Automated Tool for Subset Selection of Large Fragment Spaces via a Self-Adaptive Genetic Algorithm
- (2010) Patrick Pfeffer et al. Journal of Chemical Information and Modeling
- NovoFLAP: A Ligand-Based De Novo Design Approach for the Generation of Medicinally Relevant Ideas
- (2010) James R. Damewood et al. Journal of Chemical Information and Modeling
- PhDD: A new pharmacophore-based de novo design method of drug-like molecules combined with assessment of synthetic accessibility
- (2010) Qi Huang et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Pharmacophores in Drug Research
- (2010) Thierry Langer Molecular Informatics
- Predicting resistance mutations using protein design algorithms
- (2010) K. M. Frey et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Discovery of a novel HCV helicase inhibitor by a de novo drug design approach
- (2009) Sahar Kandil et al. BIOORGANIC & MEDICINAL CHEMISTRY LETTERS
- AutoGrow: A Novel Algorithm for Protein Inhibitor Design
- (2009) Jacob D. Durrant et al. Chemical Biology & Drug Design
- Novel trends in high-throughput screening
- (2009) Lorenz M Mayr et al. CURRENT OPINION IN PHARMACOLOGY
- Docking Screens: Right for the Right Reasons?
- (2009) Peter Kolb et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- Searching Fragment Spaces with Feature Trees
- (2009) Uta Lessel et al. Journal of Chemical Information and Modeling
- Computational Fragment-Based Approach at PDB Scale by Protein Local Similarity
- (2009) Fabrice Moriaud et al. Journal of Chemical Information and Modeling
- FOG: Fragment Optimized Growth Algorithm for thede NovoGeneration of Molecules Occupying Druglike Chemical Space
- (2009) Peter S. Kutchukian et al. Journal of Chemical Information and Modeling
- A NovelIn SilicoApproach to Drug Discovery via Computational Intelligence
- (2009) David Hecht et al. Journal of Chemical Information and Modeling
- Fragment Shuffling: An Automated Workflow for Three-Dimensional Fragment-Based Ligand Design
- (2009) Britta Nisius et al. Journal of Chemical Information and Modeling
- De Novo Drug Design Using Multiobjective Evolutionary Graphs
- (2009) Christos A. Nicolaou et al. Journal of Chemical Information and Modeling
- Knowledge-Based Approach tode NovoDesign Using Reaction Vectors
- (2009) Hina Patel et al. Journal of Chemical Information and Modeling
- Route Designer: A Retrosynthetic Analysis Tool Utilizing Automated Retrosynthetic Rule Generation
- (2009) James Law et al. Journal of Chemical Information and Modeling
- Concept of CombinatorialDe NovoDesign of Drug-like Molecules by Particle Swarm Optimization
- (2008) Markus Hartenfeller et al. Chemical Biology & Drug Design
- From Molecular Shape to Potent Bioactive Agents I: Bioisosteric Replacement of Molecular Fragments
- (2008) Ewgenij Proschak et al. ChemMedChem
- From Molecular Shape to Potent Bioactive Agents II: Fragment-Based de novo Design
- (2008) Ewgenij Proschak et al. ChemMedChem
- De Novo Ligand Design to Partially Flexible Active Sites: Application of the ReFlex Algorithm to Carboxypeptidase A, Acetylcholinesterase, and the Estrogen Receptor
- (2008) Stuart Firth-Clark et al. Journal of Chemical Information and Modeling
- Fragment-Based de Novo Ligand Design by Multiobjective Evolutionary Optimization
- (2008) Fabian Dey et al. Journal of Chemical Information and Modeling
- Pseudoreceptor models in drug design: bridging ligand- and receptor-based virtual screening
- (2008) Yusuf Tanrikulu et al. NATURE REVIEWS DRUG DISCOVERY
- The use of ligand-based de novo design for scaffold hopping and sidechain optimization: Two case studies
- (2007) Miklos Feher et al. BIOORGANIC & MEDICINAL CHEMISTRY
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