Computational Drug Discovery Methods — Research Topic | NobleBlocks | NobleBlocks

Computational Drug Discovery Methods

Top publications in Computational Drug Discovery Methods across the NobleBlocks index. Open any paper for its abstract, citations, and AI-generated take.

Indexed papers

1.8K

Total citations

8.7K

Latest paper

2025

Papers per year (last 16 years) — click a bar to see papers from that year

20102025

Top papers

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski, Franco Lombardo, Beryl W. Dominy, Paul J. Feeney

1997· Advanced Drug Delivery Reviews11.0K

Docking and scoring in virtual screening for drug discovery: methods and applications

Douglas B. Kitchen, Hélène Decornez, John R. Furr, Jürgen Bajorath

2004· Nature Reviews Drug Discovery3.2K

LigPlot+: Multiple Ligand–Protein Interaction Diagrams for Drug Discovery

Roman A. Laskowski, Mark B. Swindells

2011· Journal of Chemical Information and Modeling5.6K

Natural products in drug discovery: advances and opportunities

Atanas G. Atanasov, Sergey B. Zotchev, Verena M. Dirsch, the International Natural Product Sciences Taskforce +70 more

2021· Nature Reviews Drug Discovery4.4K

TCMSP: a database of systems pharmacology for drug discovery from herbal medicines

Jinlong Ru, Peng Li, Jinan Wang, Wei Zhou +10 more

2014· Journal of Cheminformatics4.1K

Network pharmacology: the next paradigm in drug discovery

Andrew L Hopkins

2008· Nature Chemical Biology3.8K

ChEMBL: a large-scale bioactivity database for drug discovery

A. Gaulton, L. J. Bellis, A. P. Bento, J. Chambers +7 more

2011· Nucleic Acids Research3.7K

Computational Methods for Fluid Dynamics

Joel H. Ferziger, Milovan Perić

Genomics of Drug Sensitivity in Cancer (GDSC): a resource for therapeutic biomarker discovery in cancer cells

Wanjuan Yang, Jorge Soares, Patricia Greninger, Elena J. Edelman +13 more

2012· Nucleic Acids Research3.2K

Molecular Docking: A Powerful Approach for Structure-Based Drug Discovery

Xuan-Yu Meng, Hong-Xing Zhang, Mihaly Mezei, Meng Cui

2011· Current Computer Aided-Drug Design3.0K

[19] Integrated methods for the construction of three-dimensional models and computational probing of structure-function relations in G protein-coupled receptors

Juan Antonio Ballesteros‐Cánovas, Harel Weinstein

1995· Methods in neurosciences3.0K

The growing impact of click chemistry on drug discovery

Hartmuth C Kolb, K.Barry Sharpless

2003· Drug Discovery Today2.9K

A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases

Arup K. Ghose, Vellarkad N. Viswanadhan, John J. Wendoloski

1998· Journal of Combinatorial Chemistry2.7K

Controlling the False Discovery Rate: A Practical and Powerful Approach to Multiple Testing

Yoav Benjamini, Yosef Hochberg

1995· Journal of the Royal Statistical Society Series B: Statistical Methodology89.3K

Standard methods: For the examination of water and waste water

A. E. Greenberg, Lenore S. Clesceri, Andrew D. Eaton, American Public Health Association.

1990· Analytical Biochemistry72.5K

STATISTICAL METHODS FOR ASSESSING AGREEMENT BETWEEN TWO METHODS OF CLINICAL MEASUREMENT

J Martin Bland, DouglasG. Altman

1986· The Lancet47.2K

The Discovery of Grounded Theory: Strategies for Qualitative Research.

Helmut R. Wagner, Barney G. Glaser, Anselm L. Strauss

1968· Social Forces46.6K

Case Study Research: Design and Methods

Harris Chaiklin

1991· The Journal of Nervous and Mental Disease39.9K

The Discovery of Grounded Theory; Strategies for Qualitative Research

Barney G. Glaser, Anselm L. Strauss, Elizabeth Strutzel

1968· Nursing Research38.8K

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Topic snapshot

1.8K papers indexed

8.7K total citations

Latest: 2025