Identification of potential HIV-1 integrase strand transfer inhibitors:In silicovirtual screening and QM/MM docking studies

6-Benzoyl-3-hydroxypyrimidine-2,4-diones as dual inhibitors of HIV reverse transcriptase and integrase

(2011) Jing Tang et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Pharmacophore modelling and atom-based 3D-QSAR studies onN-methyl pyrimidones as HIV-1 integrase inhibitors

(2011) Karnati Konda Reddy et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

3-Hydroxypyrimidine-2,4-diones as an Inhibitor Scaffold of HIV Integrase

(2011) Jing Tang et al.   JOURNAL OF MEDICINAL CHEMISTRY

Exploring QSAR, Pharmacophore Mapping and Docking Studies and Virtual Library Generation for Cycloguanil Derivatives as PfDHFR-TS Inhibitors

(2011) Probir Kumar Ojha et al.   Medicinal Chemistry

Discovery of a Potent HIV Integrase Inhibitor That Leads to a Prodrug with Significant anti-HIV Activity

(2011) Byung I. Seo et al.   ACS Medicinal Chemistry Letters

Non-Enzymatic Functions of Retroviral Integrase: The Next Target for Novel Anti-HIV Drug Development

(2011) Takao Masuda   Frontiers in Microbiology

Probing theα-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis

(2010) Zuojun Guo et al.   Chemical Biology & Drug Design

Pharmacophore modeling and applications in drug discovery: challenges and recent advances

(2010) Sheng-Yong Yang   DRUG DISCOVERY TODAY

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

(2010) Madhavi Sastry et al.   Journal of Chemical Information and Modeling

Prediction of Absolute Solvation Free Energies using Molecular Dynamics Free Energy Perturbation and the OPLS Force Field

(2010) Devleena Shivakumar et al.   Journal of Chemical Theory and Computation

Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods

(2010) Jianxin Duan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

HIV-1 integrase inhibitors: 2007-2008 update

(2010) Kavya Ramkumar et al.   MEDICINAL RESEARCH REVIEWS

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Novel Approach for Efficient Pharmacophore-Based Virtual Screening: Method and Applications

(2009) Oranit Dror et al.   Journal of Chemical Information and Modeling

Resistance to novel drug classes

(2009) Anne-Genevieve Marcelin et al.   Current Opinion in HIV and AIDS

A Quantum Mechanic/Molecular Mechanic Study of the Wild-Type and N155S Mutant HIV-1 Integrase Complexed with Diketo Acid

(2007) Cláudio Nahum Alves et al.   BIOPHYSICAL JOURNAL