Ligand deconstruction: Why some fragment binding positions are conserved and others are not
Published 2015 View Full Article
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Title
Ligand deconstruction: Why some fragment binding positions are conserved and others are not
Authors
Keywords
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Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 112, Issue 20, Pages E2585-E2594
Publisher
Proceedings of the National Academy of Sciences
Online
2015-05-01
DOI
10.1073/pnas.1501567112
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- (2013) Mary S. Golden et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Is NMR Fragment Screening Fine-Tuned to Assess Druggability of Protein–Protein Interactions?
- (2013) David M. Dias et al. ACS Medicinal Chemistry Letters
- Deconstruction of a Nutlin: Dissecting the Binding Determinants of a Potent Protein–Protein Interaction Inhibitor
- (2013) David C. Fry et al. ACS Medicinal Chemistry Letters
- Dissecting Fragment-Based Lead Discovery at the von Hippel-Lindau Protein:Hypoxia Inducible Factor 1α Protein-Protein Interface
- (2012) Inge Van Molle et al. CHEMISTRY & BIOLOGY
- Validation of the AmpC β-Lactamase Binding Site and Identification of Inhibitors with Novel Scaffolds
- (2012) Fung-Yi Chan et al. Journal of Chemical Information and Modeling
- Relationship between Hot Spot Residues and Ligand Binding Hot Spots in Protein–Protein Interfaces
- (2012) Brandon S. Zerbe et al. Journal of Chemical Information and Modeling
- In Silico Deconstruction of ATP-Competitive Inhibitors of Glycogen Synthase Kinase-3β
- (2012) Paola Bisignano et al. Journal of Chemical Information and Modeling
- Targeting the von Hippel–Lindau E3 Ubiquitin Ligase Using Small Molecules To Disrupt the VHL/HIF-1α Interaction
- (2012) Dennis L. Buckley et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Biophysical and computational fragment-based approaches to targeting protein–protein interactions: applications in structure-guided drug discovery
- (2012) Anja Winter et al. QUARTERLY REVIEWS OF BIOPHYSICS
- Experiences in fragment-based drug discovery
- (2012) Christopher W. Murray et al. TRENDS IN PHARMACOLOGICAL SCIENCES
- Hot Spot Analysis for Driving the Development of Hits into Leads in Fragment-Based Drug Discovery
- (2011) David R. Hall et al. Journal of Chemical Information and Modeling
- Deconstruction of Non-Nucleoside Reverse Transcriptase Inhibitors of Human Immunodeficiency Virus Type 1 for Exploration of the Optimization Landscape of Fragments
- (2011) Peter Brandt et al. JOURNAL OF MEDICINAL CHEMISTRY
- Analysis of Binding Site Hot Spots on the Surface of Ras GTPase
- (2011) Greg Buhrman et al. JOURNAL OF MOLECULAR BIOLOGY
- Robust Identification of Binding Hot Spots Using Continuum Electrostatics: Application to Hen Egg-White Lysozyme
- (2011) David H. Hall et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Structural conservation of druggable hot spots in protein-protein interfaces
- (2011) D. Kozakov et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Fragment-Based Deconstruction of Bcl-xLInhibitors
- (2010) Sarah Barelier et al. JOURNAL OF MEDICINAL CHEMISTRY
- Fragment-Based Drug Discovery Applied to Hsp90. Discovery of Two Lead Series with High Ligand Efficiency
- (2010) Christopher W. Murray et al. JOURNAL OF MEDICINAL CHEMISTRY
- Application of Fragment Growing and Fragment Linking to the Discovery of Inhibitors ofMycobacterium tuberculosisPantothenate Synthetase
- (2009) Alvin W. Hung et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Fragment-based identification of druggable ‘hot spots’ of proteins using Fourier domain correlation techniques
- (2009) Ryan Brenke et al. BIOINFORMATICS
- Binding Hot Spots and Amantadine Orientation in the Influenza A Virus M2 Proton Channel
- (2009) Gwo-Yu Chuang et al. BIOPHYSICAL JOURNAL
- Interleukin-2 in the development and control of inflammatory disease
- (2009) Katrina K. Hoyer et al. IMMUNOLOGICAL REVIEWS
- Detection of ligand binding hot spots on protein surfaces via fragment-based methods: application to DJ-1 and glucocerebrosidase
- (2009) Melissa R. Landon et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Binding Site Detection and Druggability Index from First Principles
- (2009) Jesus Seco et al. JOURNAL OF MEDICINAL CHEMISTRY
- Impact of linker strain and flexibility in the design of a fragment-based inhibitor
- (2009) Suhman Chung et al. Nature Chemical Biology
- Docking for fragment inhibitors of AmpC -lactamase
- (2009) D. G. Teotico et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Structure-Based Dissection of the Natural Product Cyclopentapeptide Chitinase Inhibitor Argifin
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