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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

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

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

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

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

Pharmacophore-Aided Virtual Screening and Molecular Dynamics Simulation Identifies TrkB Agonists for Treatment of CDKL5 -Deficiency Disorders

Ibitayo Abigail Ademuwagun, Gbolahan Oladipupo Oduselu, Solomon Oladapo Rotimi [...]

Bioinformatics and Biology Insights

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

Retricted access

Research article

First published

Deterministic Pharmacophore Detection via Multiple Flexible Alignment of Drug-Like Molecules

Dina Schneidman-Duhovny, Oranit Dror, Yuval Inbar [...]

Journal of Computational Biology

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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