Network pharmacology: a crucial approach in traditional Chinese medicine research
Yiyan Zhai, Liu Liu, Fanqin Zhang et al. · Chinese Medicine · 2025 · Review
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Computational Theory and Mathematics
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Evaluation of Free Online ADMET Tools for Academic or Small Biotech Environments
Júlia Dulsat, Blanca López-Nieto, Roger Estrada-Tejedor et al. · Molecules · 2023 · Review
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A Guide to In Silico Drug Design
Yiqun Chang, Bryson A. Hawkins, Jonathan J. Du et al. · Pharmaceutics · 2022 · Review
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Artificial intelligence and machine learning‐aided drug discovery in central nervous system diseases: State‐of‐the‐arts and future directions
Sezen Vatansever, Avner Schlessinger, Daniel Wacker et al. · Medicinal Research Reviews · 2020 · Review
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Structure-Based Virtual Screening: From Classical to Artificial Intelligence
Eduardo Habib Bechelane Maia, Letícia Cristina Assis, Tiago Alves de Oliveira et al. · Frontiers in Chemistry · 2020 · Review
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A Structure-Based Drug Discovery Paradigm
Maria Batool, Bilal Ahmad, Sangdun Choi · International Journal of Molecular Sciences · 2019 · Review
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Artificial Intelligence in Drug Design
Gerhard Hessler, Karl-Heinz Baringhaus · Molecules · 2018 · Review
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Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery
Nicholas Ekow Thomford, Dimakatso Alice Senthebane, Arielle Rowe et al. · International Journal of Molecular Sciences · 2018 · Review
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Computational methods in drug discovery
Sumudu P Leelananda, Steffen Lindert · Beilstein Journal of Organic Chemistry · 2016 · Review
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Challenges, Applications, and Recent Advances of Protein-Ligand Docking in Structure-Based Drug Design
Sam Grinter, Xiaoqin Zou · Molecules · 2014 · Review
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Molecular dynamics simulations and drug discovery
Jacob D Durrant, J Andrew McCammon · BMC Biology · 2011 · Review
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