Limitations of Fixed-Point-Charge Force Fields for Metal Coordination Modes in Proteins: A Multilevel Study of Ca2+ in Integrin αVβ3.

Levy A, Frigerio G, Grollier J, Siani P, Di Valentin C, Rothlisberger U

DOI: 10.1021/acs.jctc.6c01320
Published: 2026 Nov 10
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: unknown

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c01320,
  title = {Limitations of Fixed-Point-Charge Force Fields for Metal Coordination Modes in Proteins: A Multilevel Study of Ca2+ in Integrin αVβ3.},
  author = {Levy A and Frigerio G and Grollier J and Siani P and Di Valentin C and Rothlisberger U},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c01320},
  url = {https://doi.org/10.1021/acs.jctc.6c01320}
}

RIS

TY  - JOUR
TI  - Limitations of Fixed-Point-Charge Force Fields for Metal Coordination Modes in Proteins: A Multilevel Study of Ca2+ in Integrin αVβ3.
AU  - Levy A
AU  - Frigerio G
AU  - Grollier J
AU  - Siani P
AU  - Di Valentin C
AU  - Rothlisberger U
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c01320
UR  - https://doi.org/10.1021/acs.jctc.6c01320
ER  -

APA

A, L., G, F., J, G., P, S., C, D. V., & U, R. (2026). Limitations of Fixed-Point-Charge Force Fields for Metal Coordination Modes in Proteins: A Multilevel Study of Ca2+ in Integrin αVβ3.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c01320

Source records

pubmed · retrieved 2026-11-10T20:17:02.981Z