| 1 | Journal of Physical Chemistry B | 15 | 1.3K | 542 | 418 |
| 2 | Journal of the American Chemical Society | 7 | 828 | 6006 | 8010 |
| 3 | Journal of Chemical Information and Modeling | 15 | 725 | 64 | 181 |
| 4 | Journal of Chemical Theory and Computation | 16 | 515 | 151 | 635 |
| 5 | Journal of Computational Chemistry | 8 | 344 | 147 | 418 |
| 6 | Journal of Computer-Aided Molecular Design | 4 | 302 | 102 | 112 |
| 7 | Journal of Medicinal Chemistry | 3 | 245 | 4362 | 3504 |
| 8 | Proceedings of the National Academy of Sciences of the United States of America | 3 | 224 | 15989 | 49452 |
| 9 | PLoS ONE | 2 | 164 | 46376 | 46648 |
| 10 | Wiley Interdisciplinary Reviews: Computational Molecular Science | 1 | 152 | 189 | 327 |
| 11 | Soft Matter | 1 | 140 | 7596 | 2470 |
| 12 | Biophysical Journal | 3 | 109 | 3706 | 4457 |
| 13 | Chemistry - A European Journal | 2 | 108 | 10078 | 9652 |
| 14 | Nucleic Acids Research | 1 | 102 | 16227 | 15797 |
| 15 | Nature Physics | 2 | 95 | 1290 | 5724 |
| 16 | Nature | 1 | 93 | 32066 | 64953 |
| 17 | Molecular Informatics | 1 | 74 | 319 | 134 |
| 18 | Journal of Physics Condensed Matter | 1 | 71 | 7884 | 3473 |
| 18 | Biochimica Et Biophysica Acta - Biomembranes | 1 | 71 | 2419 | 2253 |
| 20 | Communications Chemistry | 1 | 69 | 373 | 343 |
| 21 | Faraday Discussions | 1 | 63 | 2482 | 1709 |
| 22 | Chemical Society Reviews | 1 | 56 | 2196 | 10297 |
| 23 | Journal of the Royal Society Interface | 1 | 53 | 1904 | 2932 |
| 24 | Organic and Biomolecular Chemistry | 1 | 50 | 8170 | 5990 |
| 24 | Drug Discovery Today | 1 | 50 | 1065 | 2384 |
| 26 | Journal of Physical Chemistry A | 1 | 45 | 10251 | 9192 |
| 27 | Proteins: Structure, Function and Bioinformatics | 2 | 43 | 1147 | 2627 |
| 27 | Science Immunology | 1 | 43 | 1658 | 6111 |
| 29 | Chemical Physics Letters | 1 | 36 | 7416 | 7591 |
| 30 | Journal of Chemical Physics | 6 | 34 | 4099 | 15924 |
| 31 | Future Generation Computer Systems | 1 | 29 | 2116 | 3946 |
| 32 | Israel Journal of Chemistry | 1 | 26 | 357 | 853 |
| 32 | Molecular Simulation | 3 | 26 | 150 | 751 |
| 34 | Bioorganic and Medicinal Chemistry | 1 | 21 | 5979 | 10931 |
| 35 | Biochemistry | 1 | 19 | 9342 | 17417 |
| 36 | Communications Biology | 1 | 17 | 3386 | 15470 |
| 37 | Tetrahedron Letters | 1 | 15 | 8875 | 13418 |
| 38 | Chemical Science | 1 | 12 | 10368 | 27873 |
| 39 | Clinical Genetics | 1 | 11 | 864 | 2629 |
| 40 | Journal of Molecular Graphics and Modelling | 1 | 7 | 929 | 2949 |
| 40 | ACS Physical Chemistry Au | 1 | 7 | 22 | 239 |
| 42 | Physical Chemistry Chemical Physics | 1 | 6 | 23488 | 49361 |
| 43 | Science Advances | 1 | 5 | 14623 | 64203 |
| 44 | Journal of Molecular Modeling | 1 | 4 | 1618 | 4354 |
| 45 | Journal of Organic Chemistry | 1 | 2 | 12727 | 26244 |
| 45 | Frontiers in Immunology | 1 | 2 | 14966 | 47218 |
| 45 | Concurrency Computation Practice and Experience | 1 | 2 | 1610 | 5584 |
