Scoring Functions for Protein–Ligand Interactions
Abstract
This chapter contains sections titled: Introduction Scoring Protein–Ligand Interactions: What for and How to? Application of Scoring Functions: What Is Possible and What Is Not? Thermodynamic Contributions and Intermolecular Interactions: Which Are Accounted for and Which Are Not? Conclusions or What Remains to be Done and What Can be Expected? Acknowledgments References
Integrity signals
Registry
Cites
Statistics
Claims the paper makes
Claims other papers make about this one
Each is checked against this paper’s own text: does it say what the citing paper says it does?
The advantage of nonlinear scoring functions partially circumvents the problematic modeling assumptions of linear models.
“This advantage of nonlinear scoring functions partially circumvents the problematic modeling assumptions of linear models (Dill, 1997; Baum et al., 2010; Sotriffer, 2012).”
From Empirical scoring functions for structure-based virtual screening: applications, critical aspects, and challenges (2018) · cites this paper as Sotriffer, 2012
The citation lists haven’t been fetched yet
References 141 · Cited by 16
- Authors
- Sotriffer, C.
- Affiliations
- University of Würzburg (DE)
- Corresponding author
- Sotriffer, Christoph
- ORCID
- Sotriffer, Christoph
- Venue
- Protein‐Ligand Interactions
- Publisher
- Wiley
- Published
- 2012-04-18
- Pages
- 237-263
- OpenAlex
- W1566752206
- Cited by
- 16
- References
- 141
- Citations by year
- 2018: 1 · 2017: 4 · 2016: 2 · 2015: 2 · 2014: 4 · 2013: 2 · 2012: 1
- Type
- other
- Language
- en
- Open access
- closed
- Topics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Life Sciences › Biochemistry, Genetics and Molecular Biology › Molecular Biology › Protein Structure and Dynamics
- Physical Sciences › Chemistry › Physical and Theoretical Chemistry › thermodynamics and calorimetric analyses
- Keywords
- protein-ligand interactions, scoring functions, binding affinity prediction, thermodynamic contribution, intermolecular interactions, molecular docking, virtual screening
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
