Underestimated Halogen Bonds Forming with Protein Backbone in Protein Data Bank

scientific article

Underestimated Halogen Bonds Forming with Protein Backbone in Protein Data Bank is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/ACS.JCIM.7B00235
P698PubMed publication ID28644020

P50authorZhijian XuQ48052301
P2093author name stringQian Zhang
Weiliang Zhu
Jiye Shi
P2860cites workHalogen bonds in biological moleculesQ24559980
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Distinct structural features of cyclothiazide are responsible for effects on peak current amplitude and desensitization kinetics at iGluR2Q27656358
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Quinone reductase 2 is an adventitious target of protein kinase CK2 inhibitors TBBz (TBI) and DMATQ27696157
A Note of Caution on the Role of Halogen Bonds for Protein Kinase/Inhibitor Recognition Suggested by High- And Low-Salt CK2α Complex StructuresQ27700826
Synthesis and in Vitro and in Vivo Evaluation of MMP-12 Selective Optical ProbesQ27727742
AutoDock VinaXB: implementation of XBSF, new empirical halogen bond scoring function, into AutoDock VinaQ27902339
The Halogen BondQ28077775
Halogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discoveryQ35181268
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Halogen bond: its role beyond drug-target binding affinity for drug discovery and developmentQ39284153
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Halogen bonding at the ATP binding site of protein kinases: preferred geometry and topology of ligand bindingQ45744802
Halogen bonding and other σ-hole interactions: a perspectiveQ46235428
Nonbonding interactions of organic halogens in biological systems: implications for drug discovery and biomolecular designQ46892312
A knowledge-based halogen bonding scoring function for predicting protein-ligand interactions.Q51159788
Targeting histidine side chains in molecular design through nitrogen-halogen bonds.Q54757574
Halogen Bond: A Long Overlooked InteractionQ60394955
Halogen bonding: the sigma-hole. Proceedings of "Modeling interactions in biomolecules II", Prague, September 5th-9th, 2005Q80155379
Using Surface Scans for the Evaluation of Halogen Bonds toward the Side Chains of Aspartate, Asparagine, Glutamate, and GlutamineQ87825768
P433issue7
P921main subjectProtein Data BankQ766195
P304page(s)1529-1534
P577publication date2017-06-23
P1433published inJournal of Chemical Information and ModelingQ3007982
P1476titleUnderestimated Halogen Bonds Forming with Protein Backbone in Protein Data Bank
P478volume57

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cites work (P2860)
Q47098164A systematic analysis of atomic protein-ligand interactions in the PDB.
Q64034036Adenine as a Halogen Bond Acceptor: A Combined Experimental and DFT Study
Q57289967Biomolecular Simulations of Halogen Bonds with a GROMOS Force Field
Q92221358Emerging Polar Phenolic Disinfection Byproducts Are High-Affinity Human Transthyretin Disruptors: An in Vitro and in Silico Study
Q92311745Halogen bonding in halocarbon-protein complexes and computational tools for rational drug design
Q91295130How Significant Are Unusual Protein-Ligand Interactions? Insights from Database Mining
Q95844519Interaction Nature and Computational Methods for Halogen Bonding: A Perspective
Q90133405Intermolecular Non-Covalent Carbon-Bonding Interactions with Methyl Groups: A CSD, PDB and DFT Study
Q108527671Molecular Modeling Method Applications: Probing the Mechanism of Endocrine Disruptor Action
Q102371819Systematic Optimization of a Fragment-Based Force Field against Experimental Pure-Liquid Properties Considering Large Compound Families: Application to Saturated Haloalkanes
Q64034033Theoretical ab Initio Study on Cooperativity Effects between Nitro π‐hole and Halogen Bonding Interactions
Q91794456Underestimated Noncovalent Interactions in Protein Data Bank
Q92895862π-Hole Interactions Involving Nitro Aromatic Ligands in Protein Structures

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