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Open access

Review article

First published 2025-1

Virtual screening combined with molecular docking for the !identification of new anti-adipogenic compounds

Gilberto Mandujano-Lázaro, María F Torres-Rojas, Esther Ramírez-Moreno [...]

Science Progress

Open access

Research article

First published 2025-10

Exploring the Therapeutic Potential of Virtual Screened Novel HER2 Inhibitors via QSAR,Molecular Docking and Dynamics Simulations

Khurram Rehman, Zoya Iqbal, Zhiqin Deng [...]

Dose-Response

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

Retricted access

Research article

First published 2026

Optimization-based docking and gripping planning for composite robots in dynamic warehouses using virtual shelf partitioning and mutation-driven coverage

Xuejian Zhang, Pu Guo, Tengyuan Xie [...]

Proceedings of the Institution of Mechanical Engineers,Part C: Journal of Mechanical Engineering Science

Free access

Research article

First published 2005-10

Virtual Ligand Screening against Escherichia coli Dihydrofolate Reductase: Improving Docking Enrichment Using Physics-Based Methods

Katarzyna Bernacki, Chakrapani Kalyanaraman, Matthew P. Jacobson

Journal of Biomolecular Screening

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

Open access

Research article

First published 2022-11

Virtual screening of phytochemicals by targeting multiple proteins of severe acute respiratory syndrome coronavirus 2: Molecular docking and molecular dynamics simulation studies

Muhammad Azeem, Ghulam Mustafa, Hafiza S Mahrosh

International Journal of Immunopathology and Pharmacology

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 2019-11

QSAR Classification-Based Virtual Screening Followed by Molecular Docking Identification of Potential COX-2 Inhibitors in a Natural Product Library

Shangjie Ai, Guanfei Lin, Yong Bai [...]

Journal of Computational Biology

Free access

Research article

First published 2005-10

Here Be Dragons: Docking and Screening in an Uncharted Region of Chemical Space

Ruth Brenk, John J. Irwin, Brian K. Shoichet

Journal of Biomolecular Screening

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