Luhua Lai

According to our database1, Luhua Lai authored at least 30 papers between 1996 and 2018.

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Bibliography

2018
CavityPlus: a web server for protein cavity detection with pharmacophore modelling, allosteric site identification and covalent ligand binding ability prediction.
Nucleic Acids Research, 2018

Fine-Tuning Accuracy Using Conditional Probability of the Bottom Sign-Bit in Fixed-Width Modified Booth Multiplier.
CSSP, 2018

2017
PharmMapper 2017 update: a web server for potential drug target identification with a comprehensive target pharmacophore database.
Nucleic Acids Research, 2017

Computational Multitarget Drug Design.
Journal of Chemical Information and Modeling, 2017

Sequence-based prediction of protein protein interaction using a deep-learning algorithm.
BMC Bioinformatics, 2017

2016
Motions of Allosteric and Orthosteric Ligand-Binding Sites in Proteins are Highly Correlated.
Journal of Chemical Information and Modeling, 2016

2015
Deep Learning for Drug-Induced Liver Injury.
Journal of Chemical Information and Modeling, 2015

2014
De Novo Design of Multitarget Ligands with an Iterative Fragment-Growing Strategy.
Journal of Chemical Information and Modeling, 2014

iDrug: a web-accessible and interactive drug discovery and design platform.
J. Cheminformatics, 2014

2013
Ligand Clouds around Protein Clouds: A Scenario of Ligand Binding with Intrinsically Disordered Proteins.
PLoS Computational Biology, 2013

2011
LigBuilder 2: A Practical de Novo Drug Design Approach.
Journal of Chemical Information and Modeling, 2011

Correction to Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy.
Journal of Chemical Information and Modeling, 2011

Identification of Small-Molecule Inhibitors against Human Leukocyte Antigen-Death Receptor 4 (HLA-DR4) Through a Comprehensive Strategy.
Journal of Chemical Information and Modeling, 2011

Molecular Docking and Competitive Binding Study Discovered Different Binding Modes of Microsomal Prostaglandin E Synthase-1 Inhibitors.
Journal of Chemical Information and Modeling, 2011

SDOCK: A global protein-protein docking program using stepwise force-field potentials.
Journal of Computational Chemistry, 2011

2010
Binding Energy Landscape Analysis Helps to Discriminate True Hits from High-Scoring Decoys in Virtual Screening.
Journal of Chemical Information and Modeling, 2010

2009
A novel method for enzyme design.
Journal of Computational Chemistry, 2009

2007
Dynamic Simulations on the Arachidonic Acid Metabolic Network.
PLoS Computational Biology, 2007

A Large Descriptor Set and a Probabilistic Kernel-Based Classifier Significantly Improve Druglikeness Classification.
Journal of Chemical Information and Modeling, 2007

Computation of Octanol-Water Partition Coefficients by Guiding an Additive Model with Knowledge.
Journal of Chemical Information and Modeling, 2007

Prediction of potential drug targets based on simple sequence properties.
BMC Bioinformatics, 2007

Identification of amyloid fibril-forming segments based on structure and residue-based statistical potential.
Bioinformatics, 2007

2006
Pocket v.2: Further Developments on Receptor-Based Pharmacophore Modeling.
Journal of Chemical Information and Modeling, 2006

2005
Improving the Quality of 3D-QSAR by Using Flexible-Ligand Receptor Models.
Journal of Chemical Information and Modeling, 2005

Virtual Screening of Novel Noncovalent Inhibitors for SARS-CoV 3C-like Proteinase.
Journal of Chemical Information and Modeling, 2005

2002
Further development and validation of empirical scoring functions for structure-based binding affinity prediction.
Journal of Computer-Aided Molecular Design, 2002

2001
Protein ligand docking based on empirical method for binding affinity estimation.
Journal of Computer-Aided Molecular Design, 2001

1999
Structural Features of Toxic Chemicals for Specific Toxicity.
Journal of Chemical Information and Computer Sciences, 1999

1997
A New Atom-Additive Method for Calculating Partition Coefficients.
Journal of Chemical Information and Computer Sciences, 1997

1996
RASSE: A New Method for Structure-Based Drug Design.
Journal of Chemical Information and Computer Sciences, 1996


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