Docking Performance of Fragments and Druglike Compounds-Reference-Cited by-同舟云学术

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Docking Performance of Fragments and Druglike Compounds

Published:2011-07-06 Issue:15 Volume:54 Page:5422-5431
ISSN:0022-2623
Container-title:Journal of Medicinal Chemistry
language:en
Short-container-title:J. Med. Chem.

Author:

Verdonk Marcel L.¹,Giangreco Ilenia¹²,Hall Richard J.¹,Korb Oliver³,Mortenson Paul N.¹,Murray Christopher W.¹

Affiliation:

1. Astex Therapeutics Ltd., 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, United Kingdom

2. Dipartimento Farmaco-Chimico, University of Bari, Via Orabona 4, I-70125 Bari, Italy

3. Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge CB2 1EZ, United Kingdom

Publisher

American Chemical Society (ACS)

Subject

Drug Discovery,Molecular Medicine

Link

https://pubs.acs.org/doi/pdf/10.1021/jm200558u

Reference45 articles.

1. A geometric approach to macromolecule-ligand interactions

2. Molecular recognition of receptor sites using a genetic algorithm with a description of desolvation

3. Development and validation of a genetic algorithm for flexible docking 1 1Edited by F. E. Cohen

4. A Fast Flexible Docking Method using an Incremental Construction Algorithm

5. FRED Pose Prediction and Virtual Screening Accuracy

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1. Accurate prediction of dynamic protein–ligand binding using P‐score ranking;Journal of Computational Chemistry;2024-04-22

2. Assessment of fragment docking and scoring with the endothiapepsin model system;Archiv der Pharmazie;2024-04-17

3. PocketFlow is a data-and-knowledge-driven structure-based molecular generative model;Nature Machine Intelligence;2024-03-11

4. Protein Structure-Based Organic Chemistry-Driven Ligand Design from Ultralarge Chemical Spaces;ACS Central Science;2024-02-13

5. Extracting binding energies and binding modes from biomolecular simulations of fragment binding to endothiapepsin;Archiv der Pharmazie;2024-02-06

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