Tinker statistics

Tool stats & trends

Looking to identify usage trends or leading experts?


Tinker specifications


Unique identifier OMICS_25836
Name Tinker
Software type Application/Script
Interface Command line interface
Restrictions to use None
Operating system Unix/Linux, Mac OS, Windows
Computer skills Advanced
Version 8.2.1
Stability Stable
Source code URL https://dasher.wustl.edu/tinker/distribution/source/
Maintained Yes






No version available



  • person_outline Pengyu Ren
  • person_outline Jay Ponder

Publications for Tinker

Tinker citations


Efficient minimization of multipole electrostatic potentials in torsion space

PLoS One
PMCID: 5895050
PMID: 29641557
DOI: 10.1371/journal.pone.0195578

[…] he bulk dielectric influence of water as well as from the cost of cavity formation estimated from the molecular solvent accessible surface area (SASA). The Ponder lab has reported an extension to the Amoeba force field called the generalized Kirkwood method that includes the effects of solvent as a bulk dielectric upon multipole electrostatics []. The relevant modifications to energy and gradient […]


Entropy and Polarity Control the Partition and Transportation of Drug like Molecules in Biological Membrane

Sci Rep
PMCID: 5735159
PMID: 29255188
DOI: 10.1038/s41598-017-18012-7

[…] nment is not unusual, and the binding affinity between drug and membrane protein was found to be lipid-component dependent. Great efforts have been made to develop polarizable models, such as Drude,, AMOEBA–, X-POL, etc, especially those relevant to lipid bilayers,.In the present work, we used computer simulations to study the behavior of 2-APB in fully hydrated 1-palmitoyl-2-oleoyl-sn-glycero-3-p […]


An engineered opsin monomer scrambles phospholipids

Sci Rep
PMCID: 5711885
PMID: 29196630
DOI: 10.1038/s41598-017-16842-z

[…] e for GPCRs) was modeled using the homology modeling module of modeller software and the final model was chosen based on the best DOPE score,. The model for the QUAD mutant was energy minimized using TINKER molecular modeling software (http://dasher.wustl.edu/tinker/) and the OPLSAA force field, before being used in molecular dynamics simulations (see below). RMSD of the QUAD model with respect to […]


Data driven inference for the repulsive exponent of the Lennard Jones potential in molecular dynamics simulations

Sci Rep
PMCID: 5707428
PMID: 29185461
DOI: 10.1038/s41598-017-16314-4

[…] phasize however that ab-initio derived forcefields including multi-body terms have also suffered from non perfect transferability of their parameters between gaseous and condensed phase environments. AMOEBA, has been an example of a hybrid force-field that includes additional physics, and it was also calibrated using both quantum and experimental data. In the limit of a perfect model, perfect tran […]


Tinker HP: a massively parallel molecular dynamics package for multiscale simulations of large complex systems with advanced point dipole polarizable force fields† †Electronic supplementary information (ESI) available. See DOI: 10.1039/c7sc04531j

PMCID: 5909332
PMID: 29732110
DOI: 10.1039/c7sc04531j

[…] ative/fixed cost approach is also available: the Truncated Conjugate Gradient (TCG). TCG is implemented at the TCG1 and TCG2 levels with various refinements., The TCG approaches are a strong asset of Tinker-HP as they accurately reproduce energy surfaces at a reduced computational cost and provide analytical forces. Such an approach avoids numerical drifts appearing with iterative methods and ther […]


Level of Theory and Solvent Effects on DASA Absorption Properties Prediction: Comparing TD DFT, CASPT2 and NEVPT2

PMCID: 5615680
PMID: 28869516
DOI: 10.3390/ma10091025

[…] ssian09 (Gaussian Inc., Wallingford, CT, USA) [] except for the TPA calculation, which was conducted with Dalton2016 (University of Oslo, Oslo, Norway) []. For B3LYP/AMBER optimizations, a Gaussian09/Tinker (Washington University, Saint Louis, Missouri, USA) [] protocol was applied, based on electrostatic embedding. CASPT2 and NEVPT2 computations were performed with the Molcas8 (Lund University, L […]


Looking to check out a full list of citations?

Tinker reviews

star_border star_border star_border star_border star_border
star star star star star

Be the first to review Tinker