Modulation of aldose reductase inhibition by halogen bond tuning
about
Recent Progress in Treating Protein-Ligand Interactions with Quantum-Mechanical MethodsIdentification of Novel Aldose Reductase Inhibitors from Spices: A Molecular Docking and Simulation StudyModeling organochlorine compounds and the σ-hole effect using a polarizable multipole force fieldHalogen-enriched fragment libraries as chemical probes for harnessing halogen bonding in fragment-based lead discovery.Substrate Specificity, Inhibitor Selectivity and Structure-Function Relationships of Aldo-Keto Reductase 1B15: A Novel Human Retinaldehyde Reductase.Semiempirical Quantum Mechanical Methods for Noncovalent Interactions for Chemical and Biochemical Applications.Enhanced semiempirical QM methods for biomolecular interactions.Experimental and Theoretical Evaluation of the Ethynyl Moiety as a Halogen BioisostereCarborane-based carbonic anhydrase inhibitors: insight into CAII/CAIX specificity from a high-resolution crystal structure, modeling, and quantum chemical calculations.Statistical analysis of σ-holes: a novel complementary view on halogen bonding.The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole.Competition between Halogen, Hydrogen and Dihydrogen Bonding in Brominated Carboranes.Cuby: An integrative framework for computational chemistry.The properties of substituted 3D-aromatic neutral carboranes: the potential for σ-hole bonding.Pnictogen bonding in pyrazine•PnX5 (Pn = P, As, Sb and X = F, Cl, Br) complexes.The SQM/COSMO filter: reliable native pose identification based on the quantum-mechanical description of protein-ligand interactions and implicit COSMO solvation.Superior Performance of the SQM/COSMO Scoring Functions in Native Pose Recognition of Diverse Protein–Ligand Complexes in Cognate Docking.Asymmetric bifurcated halogen bondsThe Dominant Role of Chalcogen Bonding in the Crystal Packing of 2D/3D Aromatics
P2860
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P2860
Modulation of aldose reductase inhibition by halogen bond tuning
description
2013 nî lūn-bûn
@nan
2013 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2013 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2013年の論文
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2013年学术文章
@wuu
2013年学术文章
@zh-cn
2013年学术文章
@zh-hans
2013年学术文章
@zh-my
2013年学术文章
@zh-sg
2013年學術文章
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name
Modulation of aldose reductase inhibition by halogen bond tuning
@ast
Modulation of aldose reductase inhibition by halogen bond tuning
@en
Modulation of aldose reductase inhibition by halogen bond tuning
@nl
type
label
Modulation of aldose reductase inhibition by halogen bond tuning
@ast
Modulation of aldose reductase inhibition by halogen bond tuning
@en
Modulation of aldose reductase inhibition by halogen bond tuning
@nl
prefLabel
Modulation of aldose reductase inhibition by halogen bond tuning
@ast
Modulation of aldose reductase inhibition by halogen bond tuning
@en
Modulation of aldose reductase inhibition by halogen bond tuning
@nl
P2093
P50
P3181
P356
P1433
P1476
Modulation of aldose reductase inhibition by halogen bond tuning
@en
P2093
Alexandra Cousido-Siah
André Mitschler
Francesc X Ruiz
P304
P3181
P356
10.1021/CB400526N
P50
P577
2013-09-17T00:00:00Z