Journal of Chemical Information and Modeling, volume 63, issue 6, pages 1656-1667
Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery
Yuqi Zhang
1
,
Marton Vass
2
,
Da Shi
1
,
Esam Abualrous
3
,
Jennifer M Chambers
4
,
Nikita Chopra
1
,
Christopher Higgs
1
,
Koushik Kasavajhala
5
,
Hubert Li
1
,
Prajwal P Nandekar
5
,
HIDEYUKI SATO
6
,
Edward B Miller
4
,
Matthew P Repasky
7
,
Steven V Jerome
1
1
Schrödinger Inc., 9868 Scranton Road, Suite3200, San Diego, California 92121, United States
|
2
Schrödinger Technologies Limited, Nine Hills Road, Cambridge CB2 1GE, United Kingdom
|
3
Schrödinger GmbH, Glücksteinallee 25, Mannheim 68159, Germany
|
4
Schrödinger Inc., 1540 Broadway, 24th Floor, New York, New York 10036, United States
|
5
Schrödinger India Private Limited, No: #147, 3rd Floor, Jawaharlal Nehru Main Road, Channasandra 5th Stage Rajarajeswari Nagar, Above State Bank of India, Bengaluru, India 560098
|
6
Schrödinger KK, 13F Marunouchi Trust Tower North, 1-8-1 Marunouchi, Chiyoda-ku, Tokyo 100-0005, Japan
|
7
Schrödinger Inc., 101 SW Main Street, #1300, Portland, Oregon 97239, United States
|
Publication type: Journal Article
Publication date: 2023-03-10
Quartile SCImago
Q1
Quartile WOS
Q1
Impact factor: 5.6
ISSN: 15499596, 1549960X
General Chemistry
Computer Science Applications
General Chemical Engineering
Library and Information Sciences
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GOST
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Zhang Y. et al. Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery // Journal of Chemical Information and Modeling. 2023. Vol. 63. No. 6. pp. 1656-1667.
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Zhang Y., Vass M., Shi D., Abualrous E., Chambers J. M., Chopra N., Higgs C., Kasavajhala K., Li H., Nandekar P. P., SATO H., Miller E. B., Repasky M. P., Jerome S. V. Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery // Journal of Chemical Information and Modeling. 2023. Vol. 63. No. 6. pp. 1656-1667.
Cite this
RIS
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TY - JOUR
DO - 10.1021/acs.jcim.2c01219
UR - https://doi.org/10.1021/acs.jcim.2c01219
TI - Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery
T2 - Journal of Chemical Information and Modeling
AU - Zhang, Yuqi
AU - Vass, Marton
AU - Shi, Da
AU - Abualrous, Esam
AU - Chambers, Jennifer M
AU - Chopra, Nikita
AU - Higgs, Christopher
AU - Kasavajhala, Koushik
AU - Li, Hubert
AU - Nandekar, Prajwal P
AU - SATO, HIDEYUKI
AU - Miller, Edward B
AU - Repasky, Matthew P
AU - Jerome, Steven V
PY - 2023
DA - 2023/03/10
PB - American Chemical Society (ACS)
SP - 1656-1667
IS - 6
VL - 63
SN - 1549-9596
SN - 1549-960X
ER -
Cite this
BibTex
Copy
@article{2023_Zhang,
author = {Yuqi Zhang and Marton Vass and Da Shi and Esam Abualrous and Jennifer M Chambers and Nikita Chopra and Christopher Higgs and Koushik Kasavajhala and Hubert Li and Prajwal P Nandekar and HIDEYUKI SATO and Edward B Miller and Matthew P Repasky and Steven V Jerome},
title = {Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery},
journal = {Journal of Chemical Information and Modeling},
year = {2023},
volume = {63},
publisher = {American Chemical Society (ACS)},
month = {mar},
url = {https://doi.org/10.1021/acs.jcim.2c01219},
number = {6},
pages = {1656--1667},
doi = {10.1021/acs.jcim.2c01219}
}
Cite this
MLA
Copy
Zhang, Yuqi, et al. “Benchmarking Refined and Unrefined AlphaFold2 Structures for Hit Discovery.” Journal of Chemical Information and Modeling, vol. 63, no. 6, Mar. 2023, pp. 1656-1667. https://doi.org/10.1021/acs.jcim.2c01219.