Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2025-05-01
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| Series: | ACS Omega |
| Online Access: | https://doi.org/10.1021/acsomega.5c00151 |
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| _version_ | 1850161893851791360 |
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| author | Yiqi Chen Jian Yang |
| author_facet | Yiqi Chen Jian Yang |
| author_sort | Yiqi Chen |
| collection | DOAJ |
| format | Article |
| id | doaj-art-eb6b9e331b274e16a7017fd23271183b |
| institution | OA Journals |
| issn | 2470-1343 |
| language | English |
| publishDate | 2025-05-01 |
| publisher | American Chemical Society |
| record_format | Article |
| series | ACS Omega |
| spelling | doaj-art-eb6b9e331b274e16a7017fd23271183b2025-08-20T02:22:41ZengAmerican Chemical SocietyACS Omega2470-13432025-05-011022228582287310.1021/acsomega.5c00151Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUsYiqi ChenJian Yanghttps://doi.org/10.1021/acsomega.5c00151 |
| spellingShingle | Yiqi Chen Jian Yang Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs ACS Omega |
| title | Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs |
| title_full | Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs |
| title_fullStr | Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs |
| title_full_unstemmed | Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs |
| title_short | Acceleration of the GROMACS Free-Energy Perturbation Calculations on GPUs |
| title_sort | acceleration of the gromacs free energy perturbation calculations on gpus |
| url | https://doi.org/10.1021/acsomega.5c00151 |
| work_keys_str_mv | AT yiqichen accelerationofthegromacsfreeenergyperturbationcalculationsongpus AT jianyang accelerationofthegromacsfreeenergyperturbationcalculationsongpus |