about
Computational analysis and prediction of the binding motif and protein interacting partners of the Abl SH3 domain.Advances in computationally modeling human oral bioavailabilityADMET evaluation in drug discovery: 15. Accurate prediction of rat oral acute toxicity using relevance vector machine and consensus modelingDevelop and test a solvent accessible surface area-based model in conformational entropy calculationsP-loop conformation governed crizotinib resistance in G2032R-mutated ROS1 tyrosine kinase: clues from free energy landscapeThe selective interaction between silica nanoparticles and enzymes from molecular dynamics simulationsADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockageIn Silico Exploration for Novel Type-I Inhibitors of Tie-2/TEK: The Performance of Different Selection Strategy in Selecting Virtual Screening CandidatesCharacterization of domain-peptide interaction interface: prediction of SH3 domain-mediated protein-protein interaction network in yeast by generic structure-based models.Proteome-wide detection of Abl1 SH3-binding peptides by integrating computational prediction and peptide microarray.Characterization of PDZ domain-peptide interaction interface based on energetic patternsStructure-based design of peptides against G3BP with cytotoxicity on tumor cells.Characterization of domain-peptide interaction interface: a generic structure-based model to decipher the binding specificity of SH3 domains.Prediction of binding affinities between the human amphiphysin-1 SH3 domain and its peptide ligands using homology modeling, molecular dynamics and molecular field analysis.The mechanism of proton translocation in respiratory complex I from molecular dynamics.Assessing the performance of MM/PBSA and MM/GBSA methods. 4. Accuracies of MM/PBSA and MM/GBSA methodologies evaluated by various simulation protocols using PDBbind data set.Prediction of human clearance based on animal data and molecular properties.Some basic data structures and algorithms for chemical generic programming.Development of reliable aqueous solubility models and their application in druglike analysis.On the detection of functionally coherent groups of protein domains with an extension to protein annotation.Aqueous solubility prediction based on weighted atom type counts and solvent accessible surface areas.Drug and drug candidate building block analysis.Detecting and understanding combinatorial mutation patterns responsible for HIV drug resistanceA virtual screen identified C96 as a novel inhibitor of phosphatidylinositol 3-kinase that displays potent preclinical activity against multiple myeloma in vitro and in vivoRecent advances on aqueous solubility prediction.New use for an old drug: inhibiting ABCG2 with sorafenib.Assessing the performance of the MM/PBSA and MM/GBSA methods. 1. The accuracy of binding free energy calculations based on molecular dynamics simulations.Drug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicinesRecent developments in computational prediction of HERG blockage.Prediction of peptides binding to the PKA RIIalpha subunit using a hierarchical strategyRevealing the favorable dissociation pathway of type II kinase inhibitors via enhanced sampling simulations and two-end-state calculations.A novel PI3K inhibitor PIK-C98 displays potent preclinical activity against multiple myelomaPredicting drug resistance of the HIV-1 protease using molecular interaction energy components.New Ti-decorated B40 fullerene as a promising hydrogen storage material.Using Hierarchical Virtual Screening To Combat Drug Resistance of the HIV-1 Protease.Recent development and application of virtual screening in drug discovery: an overview.Discovery of a novel ROCK2 inhibitor with anti-migration effects via docking and high-content drug screening.Discovery of Novel ROCK1 Inhibitors via Integrated Virtual Screening Strategy and Bioassays.Morphology and Performance of Polymer Solar Cell Characterized by DPD Simulation and Graph Theory.Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines.
P50
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P50
description
researcher
@en
wetenschapper
@nl
հետազոտող
@hy
name
Tingjun Hou
@ast
Tingjun Hou
@en
Tingjun Hou
@es
Tingjun Hou
@nl
Tingjun Hou
@sl
type
label
Tingjun Hou
@ast
Tingjun Hou
@en
Tingjun Hou
@es
Tingjun Hou
@nl
Tingjun Hou
@sl
prefLabel
Tingjun Hou
@ast
Tingjun Hou
@en
Tingjun Hou
@es
Tingjun Hou
@nl
Tingjun Hou
@sl
P1053
C-7492-2011
P106
P1960
vHW2kqUAAAAJ
P2798
P31
P3829
P496
0000-0001-7227-2580