Proteochemometric Modeling of the Bioactivity Spectra of HIV-1 Protease Inhibitors by Introducing Protein-Ligand Interaction Fingerprint

Thirty Years of HIV and AIDS: Future Challenges and Opportunities

(2013) Carl W. Dieffenbach et al.   ANNALS OF INTERNAL MEDICINE

Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir

(2012) Parimal Kar et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Origin of Decrease in Potency of Darunavir and Two Related Antiviral Inhibitors against HIV-2 Compared to HIV-1 Protease

(2012) Parimal Kar et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Multi-target QSAR modelling in the analysis and design of HIV-HCV co-inhibitors: an in-silico study

(2011) Qi Liu et al.   BMC BIOINFORMATICS

Mangiferin, an Anti-HIV-1 Agent Targeting Protease and Effective against Resistant Strains

(2011) Rui-Rui Wang et al.   MOLECULES

HALTING HIV/AIDS Epidemics

(2011) J. Cohen   SCIENCE

Kinome-wide interaction modelling using alignment-based and alignment-independent approaches for kinase description and linear and non-linear data analysis techniques

(2010) Maris Lapins et al.   BMC BIOINFORMATICS

Multi-target QSAR Study in the Analysis and Design of HIV-1 Inhibitors

(2010) Qi Liu et al.   CHINESE JOURNAL OF CHEMISTRY

Decomposing the Energetic Impact of Drug Resistant Mutations in HIV-1 Protease on Binding DRV

(2010) Yufeng Cai et al.   Journal of Chemical Theory and Computation

3,4,5-Trisubstituted-1,2,4-4H-triazoles as WT and Y188L mutant HIV-1 non-nucleoside reverse transcriptase inhibitors: docking-based CoMFA and CoMSIA analyses

(2010) Elena Cichero et al.   JOURNAL OF MOLECULAR MODELING

QSAR modeling of some substituted alkylidenepyridazin-3-one as a non-cAMP-based antiplatelet agent

(2010) Vivek K. Vays et al.   MEDICINAL CHEMISTRY RESEARCH

Towards Proteome-Wide Interaction Models Using the Proteochemometrics Approach

(2010) Helena Strömbergsson et al.   Molecular Informatics

Proteochemometric Modeling of the Susceptibility of Mutated Variants of the HIV-1 Virus to Reverse Transcriptase Inhibitors

(2010) Muhammad Junaid et al.   PLoS One

Proteochemometric modeling as a tool to design selective compounds and for extrapolating to novel targets

(2010) Gerard J. P. van Westen et al.   MedChemComm

Fifteen years of HIV Protease Inhibitors: raising the barrier to resistance

(2009) Annemarie M.J. Wensing et al.   ANTIVIRAL RESEARCH

Proteochemometric Modeling of Drug Resistance over the Mutational Space for Multiple HIV Protease Variants and Multiple Protease Inhibitors

(2009) Maris Lapins et al.   Journal of Chemical Information and Modeling

APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening

(2009) Violeta I. Pérez-Nueno et al.   Journal of Chemical Information and Modeling

Combining Machine Learning and Pharmacophore-Based Interaction Fingerprint for in Silico Screening

(2009) Tomohiro Sato et al.   Journal of Chemical Information and Modeling

Proteochemometric modeling of HIV protease susceptibility

(2008) Maris Lapins et al.   BMC BIOINFORMATICS

QSAR models for 2-amino-6-arylsulfonylbenzonitriles and congeners HIV-1 reverse transcriptase inhibitors based on linear and nonlinear regression methods

(2008) Rongjing Hu et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Interaction Model Based on Local Protein Substructures Generalizes to the Entire Structural Enzyme-Ligand Space

(2008) Helena Strömbergsson et al.   Journal of Chemical Information and Modeling

Towards the development of universal, fast and highly accurate docking/scoring methods: a long way to go

(2007) N Moitessier et al.   BRITISH JOURNAL OF PHARMACOLOGY