The DOI matches its Crossref record; 54 of the 55 references it cites were found in a registry or an index.
Combined molecular mechanical and continuum solvent approach (MM-PBSA/GBSA) to predict ligand binding
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“Methods such as MM-PBSA and MM-GBSA,46,47 which are based on molecular dynamics (MD) simulations, offer an alternative route for computing the binding free energies of protein–protein systems48−50 including coiled-coil complexes.42,51,52”
From Assessment of the Topology and Oligomerisation States of Coiled Coils Using Metadynamics with Conformational Restraints (2025) · cites this paper as [47]
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Metadata
- Authors
- Massova, I., & Kollman, P. A.
- Affiliations
- University of California, San Francisco (US)
- Venue
- Perspectives in Drug Discovery and Design
- Published
- 2000-06
- Volume
- 18
- Issue
- 1
- Pages
- 113-135
- ISSN
- 0928-2866 (ISSN-L)
- 1573-9023
- OpenAlex
- W1549357029
- Cited by
- 1,015
- References
- 55
- Citations by year
- 2026: 58 · 2025: 85 · 2024: 64 · 2023: 85 · 2022: 67 · 2021: 83 · 2020: 57 · 2019: 46 · 2018: 48 · 2017: 47 · 2016: 46 · 2015: 39 · 2014: 45 · 2013: 36 · 2012: 34
- FWCI
- 10.76
- Type
- journal article
- Language
- en
- Open access
- closed
- Licence
- Locations
- Perspectives in Drug Discovery and Design (publishedVersion)
- Funders
- National Institute for Health and Care Research
- National Institutes of Health
- Topics
- Life Sciences › Pharmacology, Toxicology and Pharmaceutics › Drug Discovery › Computational Drug Discovery Methods
- Physical Sciences › Physics and Astronomy › Atomic and Molecular Physics, and Optics › Advanced Chemical Physics Studies
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
- Keywords
- MM-PBSA, ligand binding prediction, binding free energy, solvent effects, solvation energy, scanning mutagenesis, molecular dynamics, high-throughput screening, binding affinity ranking
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