Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design": The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125)

Rebecca F. Alford; Andrew Leaver-Fay; Jeliazko R. Jeliazkov; Matthew J. O'Meara; Frank P. Dimaio; Hahnbeom Park; Maxim V. Shapovalov; P. Douglas Renfrew; Vikram K. Mulligan; Kalli Kappel; Jason W. Labonte; Michael S. Pacella; Richard Bonneau; Philip Bradley; Roland L. Dunbrack; Rhiju Das; David Baker; Brian Kuhlman; Tanja Kortemme; Jeffrey J. Gray

doi:10.1021/acs.jctc.2c00500

Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design": The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125)

Rebecca F. Alford, Andrew Leaver-Fay, Jeliazko R. Jeliazkov, Matthew J. O'Meara, Frank P. Dimaio, Hahnbeom Park, Maxim V. Shapovalov, P. Douglas Renfrew, Vikram K. Mulligan, Kalli Kappel, Jason W. Labonte, Michael S. Pacella, Richard Bonneau, Philip Bradley, Roland L. Dunbrack, Rhiju Das, David Baker, Brian Kuhlman, Tanja Kortemme, Jeffrey J. Gray

Cancer Signaling and Microenvironment (CSM)

Research output: Contribution to journal › Comment/debate

3 Scopus citations

Abstract

In the initially published version of this article, the potential for the disulfide dihedral CaCßSS was incorrect in Figure 4E, with a sign error in A_{2,CaCßSS} from equation S11. Here is the corrected figure panel: We thank Claiborne W. Tydings, Dr. Oanh T. Vu, and Prof. Jens Meiler of Vanderbilt University for identifying this error.

Original language	English
Pages (from-to)	4594
Number of pages	1
Journal	Journal of Chemical Theory and Computation
Volume	18
Issue number	7
DOIs	https://doi.org/10.1021/acs.jctc.2c00500
State	Published - Jun 12 2022

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Alford, R. F., Leaver-Fay, A., Jeliazkov, J. R., O'Meara, M. J., Dimaio, F. P., Park, H., Shapovalov, M. V., Renfrew, P. D., Mulligan, V. K., Kappel, K., Labonte, J. W., Pacella, M. S., Bonneau, R., Bradley, P., Dunbrack, R. L., Das, R., Baker, D., Kuhlman, B., Kortemme, T., & Gray, J. J. (2022). Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design": The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125). Journal of Chemical Theory and Computation, 18(7), 4594. https://doi.org/10.1021/acs.jctc.2c00500

Alford, Rebecca F. ; Leaver-Fay, Andrew ; Jeliazkov, Jeliazko R. et al. / Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design" : The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125). In: Journal of Chemical Theory and Computation. 2022 ; Vol. 18, No. 7. pp. 4594.

@article{309265d164e645b4b57940100372b92a,

title = "Correction to {"}The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design{"}: The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125)",

abstract = "In the initially published version of this article, the potential for the disulfide dihedral CaC{\ss}SS was incorrect in Figure 4E, with a sign error in A_{2,CaC{\ss}SS} from equation S11. Here is the corrected figure panel: We thank Claiborne W. Tydings, Dr. Oanh T. Vu, and Prof. Jens Meiler of Vanderbilt University for identifying this error.",

author = "Alford, {Rebecca F.} and Andrew Leaver-Fay and Jeliazkov, {Jeliazko R.} and O'Meara, {Matthew J.} and Dimaio, {Frank P.} and Hahnbeom Park and Shapovalov, {Maxim V.} and Renfrew, {P. Douglas} and Mulligan, {Vikram K.} and Kalli Kappel and Labonte, {Jason W.} and Pacella, {Michael S.} and Richard Bonneau and Philip Bradley and Dunbrack, {Roland L.} and Rhiju Das and David Baker and Brian Kuhlman and Tanja Kortemme and Gray, {Jeffrey J.}",

year = "2022",

month = jun,

day = "12",

doi = "10.1021/acs.jctc.2c00500",

language = "English",

volume = "18",

pages = "4594",

journal = "Journal of Chemical Theory and Computation",

issn = "1549-9618",

publisher = "American Chemical Society",

number = "7",

}

Alford, RF, Leaver-Fay, A, Jeliazkov, JR, O'Meara, MJ, Dimaio, FP, Park, H, Shapovalov, MV, Renfrew, PD, Mulligan, VK, Kappel, K, Labonte, JW, Pacella, MS, Bonneau, R, Bradley, P, Dunbrack, RL, Das, R, Baker, D, Kuhlman, B, Kortemme, T & Gray, JJ 2022, 'Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design": The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125)', Journal of Chemical Theory and Computation, vol. 18, no. 7, pp. 4594. https://doi.org/10.1021/acs.jctc.2c00500

Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design": The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125). / Alford, Rebecca F.; Leaver-Fay, Andrew; Jeliazkov, Jeliazko R. et al.
In: Journal of Chemical Theory and Computation, Vol. 18, No. 7, 12.06.2022, p. 4594.

Research output: Contribution to journal › Comment/debate

TY - JOUR

T1 - Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design"

T2 - The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125)

AU - Alford, Rebecca F.

AU - Leaver-Fay, Andrew

AU - Jeliazkov, Jeliazko R.

AU - O'Meara, Matthew J.

AU - Dimaio, Frank P.

AU - Park, Hahnbeom

AU - Shapovalov, Maxim V.

AU - Renfrew, P. Douglas

AU - Mulligan, Vikram K.

AU - Kappel, Kalli

AU - Labonte, Jason W.

AU - Pacella, Michael S.

AU - Bonneau, Richard

AU - Bradley, Philip

AU - Dunbrack, Roland L.

AU - Das, Rhiju

AU - Baker, David

AU - Kuhlman, Brian

AU - Kortemme, Tanja

AU - Gray, Jeffrey J.

PY - 2022/6/12

Y1 - 2022/6/12

N2 - In the initially published version of this article, the potential for the disulfide dihedral CaCßSS was incorrect in Figure 4E, with a sign error in A_{2,CaCßSS} from equation S11. Here is the corrected figure panel: We thank Claiborne W. Tydings, Dr. Oanh T. Vu, and Prof. Jens Meiler of Vanderbilt University for identifying this error.

AB - In the initially published version of this article, the potential for the disulfide dihedral CaCßSS was incorrect in Figure 4E, with a sign error in A_{2,CaCßSS} from equation S11. Here is the corrected figure panel: We thank Claiborne W. Tydings, Dr. Oanh T. Vu, and Prof. Jens Meiler of Vanderbilt University for identifying this error.

UR - http://www.scopus.com/inward/record.url?scp=85133594503&partnerID=8YFLogxK

U2 - 10.1021/acs.jctc.2c00500

DO - 10.1021/acs.jctc.2c00500

M3 - Comment/debate

C2 - 35667008

AN - SCOPUS:85133594503

SN - 1549-9618

VL - 18

SP - 4594

JO - Journal of Chemical Theory and Computation

JF - Journal of Chemical Theory and Computation

IS - 7

ER -

Alford RF, Leaver-Fay A, Jeliazkov JR, O'Meara MJ, Dimaio FP, Park H et al. Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design": The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125). Journal of Chemical Theory and Computation. 2022 Jun 12;18(7):4594. doi: 10.1021/acs.jctc.2c00500

Correction to "The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design": The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design (J. Chem. Theory Comput. (2017) 13: 6 (3031-3048) DOI: 10.1021/acs.jctc.7b00125)

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