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Selective Targeting of Integrin αvβ8 by a Highly Active Cyclic Peptide
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Identification and Optimization of EphA2-Selective Bicycles for the Delivery of Cytotoxic Payloads
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Macrocyclic Peptides as Drug Candidates: Recent Progress and Remaining Challenges
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Bound Water at Protein-Protein Interfaces: Partners, Roles and Hydrophobic Bubbles as a Conserved Motif
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Highly selective inhibition of histone demethylases by de novo macrocyclic peptides
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The Current State of Peptide Drug Discovery: Back to the Future?
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Improved side-chain torsion potentials for the Amber ff99SB protein force field
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PHENIX: a comprehensive Python-based system for macromolecular structure solution
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Accurate de novo design of hyperstable constrained peptides
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Structural Basis of the Antiproliferative Activity of Largazole, a Depsipeptide Inhibitor of the Histone Deacetylases
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RNA Display Methods for the Discovery of Bioactive Macrocycles
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A smooth particle mesh Ewald method
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Binding of the Microbial Cyclic Tetrapeptide Trapoxin A to the Class I Histone Deacetylase HDAC8
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Computational Design of a Protein-Based Enzyme Inhibitor
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Potent peptidic fusion inhibitors of influenza virus
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Efficient conformational ensemble generation of protein-bound peptides
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Thermodynamic and Structural Effects of Conformational Constraints in Protein−Ligand Interactions. Entropic Paradoxy Associated with Ligand Preorganization
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Synthesis and Histone Deacetylase Inhibitory Activity of Largazole Analogs: Alteration of the Zinc-Binding Domain and Macrocyclic Scaffold
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Discovery of Light-Responsive Ligands through Screening of a Light-Responsive Genetically Encoded Library
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Structure, mechanism, and inhibition of histone deacetylases and related metalloenzymes
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Computationally designed peptide macrocycle inhibitors of New Delhi metallo-β-lactamase 1
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Target-templated de novo design of macrocyclic d -/ l -peptides: discovery of drug-like inhibitors of PD-1
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Dual-targeting anti-angiogenic cyclic peptides as potential drug leads for cancer therapy
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Peptiderive server: derive peptide inhibitors from protein–protein interactions
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An Overview of Naturally Occurring Histone Deacetylase Inhibitors
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Peptidic Macrocycles - Conformational Sampling and Thermodynamic Characterization
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Integration of the Rosetta suite with the python software stack via reproducible packaging and core programming interfaces for distributed simulation
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DynaDock: A new molecular dynamics-based algorithm for protein-peptide docking including receptor flexibility
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Adapting free energy perturbation simulations for large macrocyclic ligands: how to dissect contributions from direct binding and free ligand flexibility
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HDACs and HDAC Inhibitors in Cancer Development and Therapy
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Insights into the activation mechanism of class I HDAC complexes by inositol phosphates
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Cell-Permeable Bicyclic Peptidyl Inhibitors against NEMO-IκB Kinase Interaction Directly from a Combinatorial Library
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Use of Peptide Libraries for Identification and Optimization of Novel Antimicrobial Peptides
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Analysis of Loops that Mediate Protein–Protein Interactions and Translation into Submicromolar Inhibitors
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A flexible algorithm for calculating pair interactions on SIMD architectures
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Crystal Structures of Protein-Bound Cyclic Peptides
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Display Selection of Exotic Macrocyclic Peptides Expressed under a Radically Reprogrammed 23 Amino Acid Genetic Code
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MolProbity: More and better reference data for improved all-atom structure validation: PROTEIN SCIENCE.ORG
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Messenger RNA-Programmed Incorporation of Multiple N-Methyl-Amino Acids into Linear and Cyclic Peptides
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Docking of Macrocycles: Comparing Rigid and Flexible Docking in Glide
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n→π* interactions in proteins
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How good are my data and what is the resolution?
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The many roles of histone deacetylases in development and physiology: implications for disease and therapy
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Engineered protein scaffolds as leads for synthetic inhibitors of protein–protein interactions
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Comprehensive computational design of ordered peptide macrocycles
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Structure-Based Design of Inhibitors of Protein-Protein Interactions: Mimicking Peptide Binding Epitopes
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Canonical sampling through velocity rescaling
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A Hydrogen Bond Surrogate Approach for Stabilization of Short Peptide Sequences in α-Helical Conformation
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Targeting Unoccupied Surfaces on Protein–Protein Interfaces
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Cyclic peptide therapeutics: past, present and future
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Tumor-targeting peptides from combinatorial libraries
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Direct Peptide Cyclization and One-Pot Modification Using the MeDbz Linker
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Histone Deacetylase Inhibitors: An Attractive Therapeutic Strategy Against Breast Cancer
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Macrocyclic Modalities Combining Peptide Epitopes and Natural Product Fragments
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In-solution enrichment identifies peptide inhibitors of protein–protein interactions
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Dual-targeting anti-angiogenic cyclic peptides as potential drug leads for cancer therapy
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Exploration of the HDAC2 foot pocket: Synthesis and SAR of substituted N-(2-aminophenyl)benzamides
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