The DOI matches its Crossref record; 6 of the 6 references it cites were found in a registry or an index.
Tinker 8: Software Tools for Molecular Design
Open accessAbstract
The Tinker software, currently released as version 8, is a modular molecular mechanics and dynamics package written primarily in a standard, easily portable dialect of Fortran 95 with OpenMP extensions. It supports a wide variety of force fields, including polarizable models such as the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field. The package runs on Linux, macOS, and Windows systems. In addition to canonical Tinker, there are branches, Tinker-HP and Tinker-OpenMM, designed for use on message passing interface (MPI) parallel distributed memory supercomputers and state-of-the-art graphical processing units (GPUs), respectively. The Tinker suite also includes a tightly integrated Java-based graphical user interface called Force Field Explorer (FFE), which provides molecular visualization capabilities as well as the ability to launch and control Tinker calculations.
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Cites
VMD: visual molecular dynamics
Humphrey, W., Dalke, A., & Schulten, K. (1996) · Journal of Molecular Graphics · doi:10.1016/0263-7855(96)00018-5 · Cited by 66,952
Computer Simulation of Liquids
Allen, M. P., & Tildesley, D. J. (2017) · doi:10.1093/oso/9780198803195.001.0001 · Cited by 20,945
PubChem Substance and Compound databases
Kim, S., Thiessen, P. A., Bolton, E. E., Chen, J., Fu, G., Gindulyte, A., Han, L., He, J., He, S., Shoemaker, B. A., et al. (2016) · Nucleic Acids Research · doi:10.1093/nar/gkv951 · Cited by 5,436
OpenMM 7: Rapid development of high performance algorithms for molecular dynamics
Eastman, P., Swails, J., Chodera, J. D., McGibbon, R. T., Zhao, Y., Beauchamp, K. A., Wang, L.-P., Simmonett, A. C., Harrigan, M. P., Stern, C. D., et al. (2017) · PLOS Computational Biology · doi:10.1371/journal.pcbi.1005659 · Cited by 2,748
Current Status of the AMOEBA Polarizable Force Field
Ponder, J. W., Wu, C., Ren, P., Pande, V. S., Chodera, J. D., Schnieders, M. J., Haque, I., Mobley, D. L., Lambrecht, D. S., DiStasio, R. A., et al. (2010) · The Journal of Physical Chemistry B · doi:10.1021/jp910674d · Cited by 1,440
Self-citationFree Energy Computations: A Mathematical Perspective
Lelièvre, T., Rousset, M., & Stoltz, G. (2010) · doi:10.1142/p579 · Cited by 253
Cited by
Current Status of the AMOEBA Polarizable Force Field
Ponder, J. W., Wu, C., Ren, P., Pande, V. S., Chodera, J. D., Schnieders, M. J., Haque, I., Mobley, D. L., Lambrecht, D. S., DiStasio, R. A., et al. (2010) · The Journal of Physical Chemistry B · doi:10.1021/jp910674d · Cited by 1,440
Self-citationCombining docking and molecular dynamic simulations in drug design
Alonso, H., Bliznyuk, A. A., & Gready, J. E. (2006) · Medicinal Research Reviews · doi:10.1002/med.20067 · Cited by 759
On the Molecular Mechanism of Water Reorientation
Laage, D., & Hynes, J. T. (2008) · The Journal of Physical Chemistry B · doi:10.1021/jp805217u · Cited by 438
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed
Hwang, W., Austin, S. L., Blondel, A., Boittier, E. D., Boresch, S., Buck, M., Buckner, J., Caflisch, A., Chang, H.-T., Cheng, X., et al. (2024) · The Journal of Physical Chemistry B · doi:10.1021/acs.jpcb.4c04100 · Cited by 136
Wu, R., Lu, Z., Cao, Z., & Zhang, Y. (2011) · Journal of the American Chemical Society · doi:10.1021/ja111104p · Cited by 108
Metadata
- Authors
- Rackers, J. A., Wang, Z., Lu, C., Laury, M. L., Lagardère, L., Schnieders, M. J., Piquemal, J.-P., Ren, P., & Ponder, J. W.
- Venue
- Journal of Chemical Theory and Computation
- Publisher
- American Chemical Society (ACS)
- Published
- 2018-09-03
- Volume
- 14
- Issue
- 10
- Pages
- 5273-5289
- ISSN
- 1549-9618 (ISSN-L)
- 1549-9626
- OpenAlex
- W153460014
- Cited by
- 1,186
- References
- 6
- FWCI
- 28.74
- Type
- journal article
- Language
- en
- Open access
- green
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- Rackers, J. A., Wang, Z., Lu, C., Laury, M. L., Lagardère, L., Schnieders, M. J., Piquemal, J.-P., Ren, P., & Ponder, J. W. (2018). Tinker 8: Software Tools for Molecular Design. Journal of Chemical Theory and Computation. https://doi.org/10.1021/acs.jctc.8b00529
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
