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

5 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 - Jul 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 = jul,

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, 12.07.2022, 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 - 2022/7/12

Y1 - 2022/7/12

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 - https://www.scopus.com/pages/publications/85133594503

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 Jul 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)

Abstract

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