Prediction of the binding energy for small molecules, peptides and proteins.
about
The liganding of glycolipid transfer protein is controlled by glycolipid acyl structureNRIF3 is a novel coactivator mediating functional specificity of nuclear hormone receptorsImproved prediction of HIV-1 protease-inhibitor binding energies by molecular dynamics simulationsIn silico discovery of novel retinoic acid receptor agonist structuresStructural model of nicotinic acetylcholine receptor isotypes bound to acetylcholine and nicotineFrom Drosophila to humans: reflections on the roles of the prolyl isomerases and chaperones, cyclophilins, in cell function and diseaseStructural and biochemical characterization of the human cyclophilin family of peptidyl-prolyl isomerasesLapatinib-binding protein kinases in the African trypanosome: identification of cellular targets for kinase-directed chemical scaffoldsDiscovery of a natural product-like iNOS inhibitor by molecular docking with potential neuroprotective effects in vivoTheoretical analysis of adsorption thermodynamics for hydrophobic peptide residues on SAM surfaces of varying functionality.Saikosaponin-d, a novel SERCA inhibitor, induces autophagic cell death in apoptosis-defective cells.A new method to estimate ligand-receptor energetics.Prediction of desmoglein-3 peptides reveals multiple shared T-cell epitopes in HLA DR4- and DR6-associated pemphigus vulgarisImproved docking, screening and selectivity prediction for small molecule nuclear receptor modulators using conformational ensembles.Identification Of Small Molecule TRABID Deubiquitinase Inhibitors By Computation-Based Virtual Screen.The flexible pocketome engine for structural chemogenomics.Structure based prediction of subtype-selectivity for adenosine receptor antagonistsSpecific increase in potency via structure-based design of a TCR.ALiBERO: evolving a team of complementary pocket conformations rather than a single leader.The Importance of Ligand-Receptor Conformational Pairs in Stabilization: Spotlight on the N/OFQ G Protein-Coupled ReceptorIn Silico screening on the three-dimensional model of the Plasmodium vivax SUB1 protease leads to the validation of a novel anti-parasite compoundModeling of the aryl hydrocarbon receptor (AhR) ligand binding domain and its utility in virtual ligand screening to predict new AhR ligands.Synthesis, in vitro binding studies and docking of long-chain arylpiperazine nitroquipazine analogues, as potential serotonin transporter inhibitors.Docking and scoring with ICM: the benchmarking results and strategies for improvement.Identification of a natural product-like STAT3 dimerization inhibitor by structure-based virtual screening.Binding mode pediction of evodiamine within vanilloid receptor TRPV1.Structural Basis for Ligand Recognition and Functional Selectivity at Angiotensin ReceptorT-cell epitope vaccine design by immunoinformatics.Type-II kinase inhibitor docking, screening, and profiling using modified structures of active kinase statesIdentification of tripeptides recognized by the PDZ domain of Dishevelled.Structural basis of ligand interaction with atypical chemokine receptor 3.Advances in the prediction of protein-peptide binding affinities: implications for peptide-based drug discovery.Allosteric modulation model of the mu opioid receptor by herkinorin, a potent not alkaloidal agonist.The antiandrogen flutamide is a novel aryl hydrocarbon receptor ligand that disrupts bile acid homeostasis in mice through induction of Abcc4Docking to multiple pockets or ligand fields for screening, activity prediction and scaffold hopping.Driving forces of protein association: the dimer-octamer equilibrium in arylsulfatase A.Substrate binding and translocation of the serotonin transporter studied by docking and molecular dynamics simulations.Structure-based phenotyping predicts HIV-1 protease inhibitor resistance.Understanding Flavin-Dependent Halogenase Reactivity via Substrate Activity Profiling.Theoretical calculations of the catalytic triad in short-chain alcohol dehydrogenases/reductases.
P2860
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P2860
Prediction of the binding energy for small molecules, peptides and proteins.
description
1999 nî lūn-bûn
@nan
1999 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
1999 թվականի մայիսին հրատարակված գիտական հոդված
@hy
1999年の論文
@ja
1999年論文
@yue
1999年論文
@zh-hant
1999年論文
@zh-hk
1999年論文
@zh-mo
1999年論文
@zh-tw
1999年论文
@wuu
name
Prediction of the binding energy for small molecules, peptides and proteins.
@ast
Prediction of the binding energy for small molecules, peptides and proteins.
@en
type
label
Prediction of the binding energy for small molecules, peptides and proteins.
@ast
Prediction of the binding energy for small molecules, peptides and proteins.
@en
prefLabel
Prediction of the binding energy for small molecules, peptides and proteins.
@ast
Prediction of the binding energy for small molecules, peptides and proteins.
@en
P2093
P2860
P1476
Prediction of the binding energy for small molecules, peptides and proteins.
@en
P2093
P2860
P304
P356
10.1002/(SICI)1099-1352(199905/06)12:3<177::AID-JMR451>3.0.CO;2-Z
P577
1999-05-01T00:00:00Z