Revolutionizing antiretroviral therapy for human immunodeficiency virus/AIDS: A computational approach using molecular docking, virtual screening, and 3D pharmacophore building to address therapeutic failure and propose highly effective candidates

Next generation 3D pharmacophore modeling

(2020) David Schaller et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Evolving understanding of HIV-1 reverse transcriptase structure, function, inhibition, and resistance

(2020) Francesc Xavier RUIZ et al.   CURRENT OPINION IN STRUCTURAL BIOLOGY

Antiretroviral treatment failure and associated factors among HIV patients on first-line antiretroviral treatment in Sekota, northeast Ethiopia

(2020) Jemberu Nega et al.   AIDS Research and Therapy

Discovery of Potential Chemical Probe as Inhibitors of CXCL12 Using Ligand-Based Virtual Screening and Molecular Dynamic Simulation

(2020) Sajjad Haider et al.   MOLECULES

An Integrated Pharmacophore/Docking/3D-QSAR Approach to Screening a Large Library of Products in Search of Future Botulinum Neurotoxin A Inhibitors

(2020) Davide Gentile et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Adherence to HIV treatment regimens: systematic literature review and meta-analysis

(2019) Frederick Altice et al.   Patient Preference and Adherence

E-pharmacophore modelling, virtual screening, molecular dynamics simulations and in-silico ADME analysis for identification of potential E6 inhibitors against cervical cancer

(2019) Avinash Kumar et al.   JOURNAL OF MOLECULAR STRUCTURE

Present drug-likeness filters in medicinal chemistry during the hit and lead optimization process: how far can they be simplified?

(2018) Serge Mignani et al.   DRUG DISCOVERY TODAY

Pharmacophore Modeling for Antitargets

(2013) Khac-Minh Thai et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Identification of New Natural DNA G-Quadruplex Binders Selected by a Structure-Based Virtual Screening Approach

(2013) Anna Artese et al.   MOLECULES

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

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

(2010) Sheng-Yong Yang   DRUG DISCOVERY TODAY