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Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening against Protein Targets

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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NMR‐Techniken zum Screening und zur Identifizierung der Bindung von Liganden an Proteinrezeptoren
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Multiple-Pulse Mixing Sequences That Selectively Enhance Chemical Exchange or Cross-Relaxation Peaks in High-Resolution NMR Spectra
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AQUAFAC 3: aqueous functional group activity coefficients; application to the estimation of aqueous solubility
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Prediction of aqueous solubility for a diverse set of organic compounds based on atom-type electrotopological state indices
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Inhibition of cyclin-dependent kinases, GSK-3β and CK1 by hymenialdisine, a marine sponge constituent
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A small molecule designed to bind to the adenine nucleotide pocket of Hsp90 causes Her2 degradation and the growth arrest and differentiation of breast cancer cells
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A Novel Class of Small Functional Peptides that Bind and Inhibit Human α-Thrombin Isolated by mRNA Display
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Library design for NMR-based screening
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NMR-based screening technologies
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A ‘Rule of Three’ for fragment-based lead discovery?
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High-throughput crystallography to enhance drug discovery
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Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition
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Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds
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Measuring Molecular Similarity and Diversity: Total Pharmacophore Diversity
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SAR and X-ray. A New Approach Combining Fragment-Based Screening and Rational Drug Design: Application to the Discovery of Nanomolar Inhibitors of Src SH2
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Simple Selection Criteria for Drug-like Chemical Matter
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Molecular Properties That Influence the Oral Bioavailability of Drug Candidates
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The Properties of Known Drugs. 1. Molecular Frameworks
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Properties of Known Drugs. 2. Side Chains
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Identification of compounds with binding affinity to proteins via magnetization transfer from bulk water*
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Europe's Emerging Biopharmaceutical Companies
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Nmr in drug discovery
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The Protein Data Bank
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Experimental and computational mapping of the binding surface of a crystalline protein
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Inhibition of Cyclin‐Dependent Kinases by Purine Analogues
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Discovering High-Affinity Ligands for Proteins: SAR by NMR
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Application of NMR Screening in Drug Discovery

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Fragment‐Based Lead Discovery
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Fragment‐Based Lead Discovery
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Discovery of Inhibitors of Protein–Protein Interactions by Screening Chemical Libraries
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Fragment‐Based Ligand Discovery
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Docking and Scoring for Structure‐based Drug Design
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Chemical Biology of Kinases Studied by NMR Spectroscopy
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Fragment‐Based Approaches in Virtual Screening
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Hit and Lead Identification from Fragments
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The Role of Fragment‐based Discovery in Lead Finding
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The Synthesis of Biophysical Methods In Support of Robust Fragment‐Based Lead Discovery
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Computational Methods to Support Fragment‐based Drug Discovery
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Targeting Norovirus Infection—Multivalent Entry Inhibitor Design Based on NMR Experiments
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Design and Characterization of Libraries of Molecular Fragments for Use in NMR Screening Against Protein Targets.
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FlexNovo : Structure‐Based Searching in Large Fragment Spaces
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Complementary Screening Techniques Yielded Fragments that Inhibit the Phosphatase Activity of Soluble Epoxide Hydrolase
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NMR metabolomics and drug discovery
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Fragment Screening Using X-Ray Crystallography
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Fragment Screening by NMR
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Fragment-Based Design of Kinase Inhibitors: A Practical Guide
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Design of Screening Collections for Successful Fragment-Based Lead Discovery
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Molecular Modeling
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Direct optical detection in fragment-based screening
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Design of compound libraries for fragment screening
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Lessons for fragment library design: analysis of output from multiple screening campaigns
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The multiple roles of computational chemistry in fragment-based drug design
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Design of a multi-purpose fragment screening library using molecular complexity and orthogonal diversity metrics
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Design of a Fragment Library that maximally represents available chemical space
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Lead Discovery and the Concepts of Complexity and Lead-Likeness in the Evolution of Drug Candidates
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New Applications for Structure-Based Drug Design
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Step IIIb: The Drug-Like Chemical Diversity Pool: Diverse and Targeted Compound Collections
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Designing a Diverse High-Quality Library for Crystallography-Based FBDD Screening
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Fragment-Based Lead Discovery and Design
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Selectivity of Kinase Inhibitor Fragments
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How Well Can Fragments Explore Accessed Chemical Space? A Case Study from Heat Shock Protein 90
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A Small Nonrule of 3 Compatible Fragment Library Provides High Hit Rate of Endothiapepsin Crystal Structures with Various Fragment Chemotypes
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Promiscuous 2-Aminothiazoles (PrATs): A Frequent Hitting Scaffold
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Recent Developments in Fragment-Based Drug Discovery
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Binding Site Detection and Druggability Index from First Principles
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Design and Implementation of an Ribonucleic Acid (RNA) Directed Fragment Library
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Combining Hit Identification Strategies: Fragment-Based and in Silico Approaches to Orally Active 2-Aminothieno[2,3-d]pyrimidine Inhibitors of the Hsp90 Molecular Chaperone
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Fragment-based discovery of a chemical probe for the PWWP1 domain of NSD3
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Fragment-Based Lead Discovery Applied to Protein–Protein Interactions
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Fragment-based Ligand Discovery (FBLD)
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Fragment screening: an introduction
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Demonstration of the utility of DOS-derived fragment libraries for rapid hit derivatisation in a multidirectional fashion
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A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase
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FAF-Drugs: free ADME/tox filtering of compound collections
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Fragment approaches in structure-based drug discovery
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Hitting the target: fragment screening with acousticin situco-crystallization of proteins plus fragment libraries on pin-mounted data-collection micromeshes
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Experimental Validation of a Fragment Library for Lead Discovery Using SPR Biosensor Technology
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Large Scale Meta-Analysis of Fragment-Based Screening Campaigns: Privileged Fragments and Complementary Technologies
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A Multi-Step NMR Screen for the Identification and Evaluation of Chemical Leads for Drug Discovery
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Library Design for Fragment Based Screening
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Fragment-Based Whole Cell Screen Delivers Hits against M. tuberculosis and Non-tuberculous Mycobacteria
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Using Structure-guided Fragment-Based Drug Discovery to Target Pseudomonas aeruginosa Infections in Cystic Fibrosis
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NMR-Fragment Based Virtual Screening: A Brief Overview
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NMR as a “Gold Standard” Method in Drug Design and Discovery
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Faculty Opinions recommendation of Drugging an undruggable pocket on KRAS.
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Strategies for the Design of Rna-Binding Small Molecules
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Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
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The Benefits of Constructing Leads from Fragment Hits
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