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Research article

First published 2016-10

Pharmacophore Models Derived from Molecular Dynamics Simulations of Protein-Ligand Complexes: A Case Study

Marcus Wieder, Ugo Perricone, Thomas Seidel [...]

Natural Product Communications

Open access

Research article

First published 2016

Molecular Shape Analysis-Guided Virtual Screening Platform for Adenosine Kinase Inhibitors

Savita Bhutoria, Ballari Das, Nanda Ghoshal

Bioinformatics and Biology Insights

Open access

Research article

First published 2026

Combating Drug Resistance in Mycobacterium Tuberculosis : A Combinatorial in Silico and Experimental Modeling Approach Toward Novel ATP Synthase Inhibitor Discovery

Haidy H. El-Zoheiry, Ratul Bhowmik, Ajay Manaithiya [...]

Bioinformatics and Biology Insights

Free access

Research article

First published 2011-3

On the Integration of Pharmacophore Model and Molecular Docking Method

G. Dong, X.J. Deng, J.H. Xiao

Journal of Algorithms & Computational Technology

Retricted access

Research article

First published 2013-10

Identification of Michael Acceptor-Centric Pharmacophores with Substituents That Yield Strong Thioredoxin Reductase Inhibitory Character Correlated to Antiproliferative Activity

Fei-Fei Gan, Kamila K. Kaminska, Hong Yang [...]

Antioxidants & Redox Signaling

Free access

Research article

First published 2011-10

In Silico–Based Structural Analysis of Arylthiophene Derivatives for FTase Inhibitory Activity,hERG,and Other Toxic Effects

N. S. Hari Narayana Moorthy, Sergio F. Sousa, Maria J. Ramos [...]

Journal of Biomolecular Screening

Free access

Research article

First published 1998-12

Identification of HIV-1 Integrase Inhibitors Based on a Four-Point Pharmacophore

H Hong, N Neamati, HE Winslow [...]

Antiviral Chemistry and Chemotherapy

Retricted access

Research article

First published 2005-10

Drug Discovery in the Kinase Inhibitory Field Using the Nested Chemical Library™ Technology

György Kéri, Zsolt Székelyhidi, Péter Bánhegyi [...]

ASSAY and Drug Development Technologies

Open access

Research article

First published 2024-01

Proposal of pharmacophore model for HIV reverse transcriptase inhibitors: Combined mutational effect analysis,molecular dynamics,molecular docking and pharmacophore modeling study

Azzeddine Annan, Noureddine Raiss, Sanae Lemrabet [...]

International Journal of Immunopathology and Pharmacology

Open access

Research article

First published 2023

Selective Non-toxics Inhibitors Targeting DHFR for Tuberculosis and Cancer Therapy: Pharmacophore Generation and Molecular Dynamics Simulation

Ghyzlane EL Haddoumi, Mariam Mansouri, Houda Bendani [...]

Bioinformatics and Biology Insights

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