Author details

Full Name

Tingjun Hou

Affiliation

ORCID

Career Start Year

1999

Papers

357

H Index

Expertise

CM4AI Collaborator

PMID	Paper Title	Journal Title	Published Year
36845922	MetalProGNet: a structure-based deep graph model for metalloprotein-ligand interaction predictions.		2023
36243961	DrugMAP: molecular atlas and pharma-informationÂ of all drugs.	Nucleic Acids Research	2023
36300631	PROTAC-DB 2.0: an updated database of PROTACs.	Nucleic Acids Research	2023
36200814	CovInter: interaction data between coronavirus RNAs and host proteins.	Nucleic Acids Research	2023
37605947	TransFoxMol: predicting molecular property with focused attention.		2023
37738401	ML-PLIC: a web platform for characterizing protein-ligand interactions and developing machine learning-based scoring functions.		2023
37574904	On the Dynamic Mechanism of Long-Flexible Fatty Acid Binding to Fatty Acid Binding Protein: Resolving the Long-Standing Debate.		2023
37471134	FFLOM: A Flow-Based Autoregressive Model for Fragment-to-Lead Optimization.		2023
37342628	Deciphering the Shared and Specific Drug Resistance Mechanisms of Anaplastic Lymphoma Kinase via Binding Free Energy Computation.		2023
37088813	In-silico target prediction by ensemble chemogenomic model based on multi-scale information of chemical structures and protein sequences.		2023
37403155	TB-IECS: an accurate machine learning-based scoring function for virtual screening.		2023
36642412	Reducing false positive rate of docking-based virtual screening by active learning.		2023
36578163	Cooperation of structural motifs controls drug selectivity in cyclin-dependent kinases: an advanced theoretical analysis.		2023
37142585	Chemistry-intuitive explanation of graph neural networks for molecular property prediction with substructure masking.		2023
36820817	Development and test of highly accurate endpoint free energy methods. 2: Prediction of logarithm of n-octanol-water partition coefficient (logP) for druglike molecules using MM-PBSA method.		2023
36639570	Computationally guided discovery of novel non-steroidal AR-GR dual antagonists demonstrating potency against antiandrogen resistance.		2023
36573494	Learning with uncertainty to accelerate the discovery of histone lysine-specific demethylase 1A (KDM1A/LSD1) inhibitors.		2023
37014039	Matched Molecular Pair Analysis in Drug Discovery: Methods and Recent Applications.		2023
36815050	Kinome-wide polypharmacology profiling of small molecules by multi-task graph isomorphism network approach.		2023
36700836	Sigmoid Accelerated Molecular Dynamics: An Efficient Enhanced Sampling Method for Biosystems.		2023
37388700	Uncovering the Kinetic Characteristics and Degradation Preference of PROTAC Systems with Advanced Theoretical Analyses.		2023
36807356	Development and test of highly accurate endpoint free energy methods. 1: Evaluation of ABCG2 charge model on solvation free energy prediction and optimization of atom radii suitable for more accurate solvationÂ freeÂ energy prediction by the PBSA method.		2023
37317043	Topology-Based and Conformation-Based Decoys Database: An Unbiased Online Database for Training and Benchmarking Machine-Learning Scoring Functions.		2023
37122451	Small-Molecule Inhibition of Androgen Receptor Dimerization as a Strategy against Prostate Cancer.		2023
37000044	Improved GNNs for Logâ¿¯ Prediction by Transferring Knowledge from Low-Fidelity Data.		2023
37184885	Molecular Generation with Reduced Labeling through Constraint Architecture.		2023
36472475	Structural Analysis and Prediction of Hematotoxicity Using Deep Learning Approaches.	Journal of Chemical Information and Modeling	2023
36794194	SDEGen: learning to evolve molecular conformations from thermodynamic noise for conformation generation.		2023
36681903	Can molecular dynamics simulations improve predictions of protein-ligand binding affinity with machine learning?		2023
36681902	Comprehensive assessment of nine target prediction web services: which should we choose for target fishing?		2023
36791039	Quasiclassical Trajectory Simulation as a Protocol to Build Locally Accurate Machine Learning Potentials.		2023
37425064	MF-SuP-p: Multi-fidelity modeling with subgraph pooling mechanism for p prediction.		2023
37166951	RNAincoder: a deep learning-based encoder for RNA and RNA-associated interaction.		2023
37038222	MetaRF: attention-based random forest for reaction yield prediction with a few trails.	J Cheminform	2023
37538816	A generalized protein-ligand scoring framework with balanced scoring, docking, ranking and screening powers.		2023
37480347	How Good Are Current Docking Programs at Nucleic Acid-Ligand Docking? A Comprehensive Evaluation.		2023
37163364	Deep Generation Model Guided by the Docking Score for Active Molecular Design.		2023
34634800	DDInter: an online drug-drug interaction database towards improving clinical decision-making and patient safety.	Nucleic Acids Research	2022
36111363	The very long-chain fatty acid elongase FgElo2 governs tebuconazole sensitivity and virulence in Fusarium graminearum.	Environmental Microbiology	2022
35713712	Exploring Low-Toxicity Chemical Space with Deep Learning for Molecular Generation.	Journal of Chemical Information and Modeling	2022
35713420	RELATION: A Deep Generative Model for Structure-Based De Novo Drug Design.	Journal of Medicinal Chemistry	2022
35395683	Characterizing the stabilization effects of stabilizers in protein-protein systems with end-point binding free energy calculations.	Briefings in Bioinformatics	2022
35907884	Structure-guided and phage-assisted evolution of a therapeutic anti-EGFR antibody to reverse acquired resistance.	Nat Commun	2022
36040137	Determination of Molecule Category of Ligands Targeting the Ligand-Binding Pocket of Nuclear Receptors with Structural Elucidation and Machine Learning.	Journal of Chemical Information and Modeling	2022
36230632	Identification of Monobenzone as a Novel Potential Anti-Acute Myeloid Leukaemia Agent That Inhibits RNR and Suppresses Tumour Growth in Mouse Xenograft Model.	Cancers	2022
35580866	fastDRH: a webserver to predict and analyze protein-ligand complexes based on molecular docking and MM/PB(GB)SA computation.	Briefings in Bioinformatics	2022
36167281	Machine learning methods for pK prediction of small molecules: Advances and challenges.	Drug Discovery Today	2022
36029561	Discovery of novel non-nucleoside inhibitors with high potency and selectivity for DNA methyltransferase 3A.	European Journal of Medicinal Chemistry	2022
35958111	Proteome-Wide Profiling of the Covalent-Druggable Cysteines with a Structure-Based Deep Graph Learning Network.	Research	2022
35642777	TocoDecoy: A New Approach to Design Unbiased Datasets for Training and Benchmarking Machine-Learning Scoring Functions.	Journal of Medicinal Chemistry	2022