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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

Free access

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 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

Retricted access

Research article

First published 2014-1

A combination of pharmacophore modeling,molecular docking and virtual screening for iNOS inhibitors from Chinese herbs

Xing Wang, Zhenzhen Ren, Yusu He [...]

Bio-Medical Materials and Engineering

Open access

Research article

First published 2023-10

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

Azzeddine Annan, Noureddine Raiss, El Harti Elmir [...]

International Journal of Immunopathology and Pharmacology

Open access

Research article

First published 2022

Phytochemical Characterization,Functional Nutrition,and Anti-Diabetic Potentials of Leptadenia hastata (pers) Decne Leaves: In Silico and In Vitro Studies

Ifeoma Felicia Chukwuma, Florence Nkechi Nworah, Victor Onukwube Apeh [...]

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

Open access

Research article

First published 2022-12

Pharmacophore-Based Virtual Screening of Potential SARS-CoV-2 Main Protease Inhibitors from Library of Natural Products

Jing Wang, Yu Jiang, Yingnan Wu [...]

Natural Product Communications

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

Retricted access

Research article

First published 2010-12

Using Electrophysiology and In Silico Three-Dimensional Modeling to Reduce Human Ether-à-go-go Related Gene K + Channel Inhibition in a Histamine H3 Receptor Antagonist Program

Adam J. Davenport, Clemens Möller, Alexander Heifetz [...]

ASSAY and Drug Development Technologies

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