- Home
- Publications
- Publication Search
- Publication Details
Title
Automated docking for novel drug discovery
Authors
Keywords
-
Journal
Expert Opinion on Drug Discovery
Volume 8, Issue 7, Pages 821-834
Publisher
Informa Healthcare
Online
2013-05-06
DOI
10.1517/17460441.2013.794780
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Structure and dynamics of β-lactoglobulin in complex with dodecyl sulfate and laurate: A molecular dynamics study
- (2012) Martiniano Bello et al. BIOPHYSICAL CHEMISTRY
- Ligand Based Pharmacophore Identification and Molecular Docking Studies for Grb2 Inhibitors
- (2012) Venkatesh Arulalapperumal et al. BULLETIN OF THE KOREAN CHEMICAL SOCIETY
- Modeling loop backbone flexibility in receptor-ligand docking simulations
- (2012) Johannes Flick et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors
- (2012) Ori Kalid et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Docking and DFT Studies to explore the Topoisomerase II ATP Pocket employing 3-Substituted 2,6-Piperazindiones for drug design
- (2012) J. Correa-Basurto et al. MOLECULAR SIMULATION
- Molecular Dynamics of a Thermostable Multicopper Oxidase from Thermus thermophilus HB27: Structural Differences between the Apo and Holo Forms
- (2012) Martiniano Bello et al. PLoS One
- ReFlexIn: A Flexible Receptor Protein-Ligand Docking Scheme Evaluated on HIV-1 Protease
- (2012) Simon Leis et al. PLoS One
- Effect of the explicit flexibility of the InhA enzyme from Mycobacterium tuberculosis in molecular docking simulations
- (2011) Elisangela ML Cohen et al. BMC GENOMICS
- Disparate Degrees of Hypervariable Loop Flexibility Control T-Cell Receptor Cross-Reactivity, Specificity, and Binding Mechanism
- (2011) Daniel R. Scott et al. JOURNAL OF MOLECULAR BIOLOGY
- Enrichment of virtual hits by progressive shape-matching and docking
- (2011) Jiwon Choi et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Multilevel Parallelization of AutoDock 4.2
- (2011) Andrew P Norgan et al. Journal of Cheminformatics
- Homology modeling and molecular dynamics of CYP1A1 and CYP2B1 to explore the metabolism of aryl derivatives by docking and experimental assays
- (2010) Martha C. Rosales-Hernández et al. EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY
- Virtual screening with AutoDock: theory and practice
- (2010) Sandro Cosconati et al. Expert Opinion on Drug Discovery
- Advances and Challenges in Protein-Ligand Docking
- (2010) Sheng-You Huang et al. INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
- Evaluation of the performance of four molecular docking programs on a diverse set of protein-ligand complexes
- (2010) Xun Li et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Molecular docking and molecular dynamics simulation studies of GPR40 receptor–agonist interactions
- (2010) Shao-Yong Lu et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Scoring functions and their evaluation methods for protein–ligand docking: recent advances and future directions
- (2010) Sheng-You Huang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Virtual Screening for HIV Protease Inhibitors: A Comparison of AutoDock 4 and Vina
- (2010) Max W. Chang et al. PLoS One
- Flexible ligand docking using conformational ensembles
- (2010) David M. Lorber et al. PROTEIN SCIENCE
- MS-DOCK: Accurate multiple conformation generator and rigid docking protocol for multi-step virtual ligand screening
- (2009) Nicolas Sauton et al. BMC BIOINFORMATICS
- Natural products and drug discovery. Can thousands of years of ancient medical knowledge lead us to new and powerful drug combinations in the fight against cancer and dementia?
- (2009) Hong-Fang Ji et al. EMBO REPORTS
- Rational drug design
- (2009) Soma Mandal et al. EUROPEAN JOURNAL OF PHARMACOLOGY
- Blind docking of 260 protein-ligand complexes with EADock 2.0
- (2009) Aurélien Grosdidier et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- High-Performance Drug Discovery: Computational Screening by Combining Docking and Molecular Dynamics Simulations
- (2009) Noriaki Okimoto et al. PLoS Computational Biology
- Structural studies of human purine nucleoside phosphorylase: Towards a new specific empirical scoring function
- (2008) Luis Fernando Saraiva Macedo Timmers et al. ARCHIVES OF BIOCHEMISTRY AND BIOPHYSICS
- Accommodation of GDP-Linked Sugars in the Active Site of GDP-Perosamine Synthase†,‡
- (2008) Paul D. Cook et al. BIOCHEMISTRY
- Molecular Docking Algorithms
- (2008) Raquel Dias et al. CURRENT DRUG TARGETS
- Overcoming the challenges of membrane protein crystallography
- (2008) Elisabeth P Carpenter et al. CURRENT OPINION IN STRUCTURAL BIOLOGY
- Lead Finder: An Approach To Improve Accuracy of Protein−Ligand Docking, Binding Energy Estimation, and Virtual Screening
- (2008) Oleg V. Stroganov et al. Journal of Chemical Information and Modeling
- Fully Automated Molecular Mechanics Based Induced Fit Protein−Ligand Docking Method
- (2008) Jürgen Koska et al. Journal of Chemical Information and Modeling
- MedusaScore: An Accurate Force Field-Based Scoring Function for Virtual Drug Screening
- (2008) Shuangye Yin et al. Journal of Chemical Information and Modeling
- Q-Dock: Low-resolution flexible ligand docking with pocket-specific threading restraints
- (2008) Michal Brylinski et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Agonist-Induced Conformational Changes in Bovine Rhodopsin: Insight into Activation of G-Protein-Coupled Receptors
- (2008) Supriyo Bhattacharya et al. JOURNAL OF MOLECULAR BIOLOGY
Find the ideal target journal for your manuscript
Explore over 38,000 international journals covering a vast array of academic fields.
SearchAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now