| Year |
Citation |
Score |
| 2021 |
Qiu Y, Smith DGA, Boothroyd S, Jang H, Hahn DF, Wagner J, Bannan CC, Gokey T, Lim VT, Stern CD, Rizzi A, Tjanaka B, Tresadern G, Lucas X, Shirts MR, et al. Development and Benchmarking of Open Force Field v1.0.0-the Parsley Small-Molecule Force Field. Journal of Chemical Theory and Computation. PMID 34551262 DOI: 10.1021/acs.jctc.1c00571 |
0.68 |
|
| 2021 |
Ehrman JN, Lim VT, Bannan CC, Thi N, Kyu DY, Mobley DL. Improving small molecule force fields by identifying and characterizing small molecules with inconsistent parameters. Journal of Computer-Aided Molecular Design. PMID 33506360 DOI: 10.1007/s10822-020-00367-1 |
0.683 |
|
| 2018 |
Zanette C, Bannan CC, Bayly CI, Fass J, Gilson MK, Shirts MR, Chodera JD, Mobley DL. Toward learned chemical perception of force field typing rules. Journal of Chemical Theory and Computation. PMID 30512951 DOI: 10.1021/Acs.Jctc.8B00821 |
0.723 |
|
| 2018 |
Mobley DL, Bannan CC, Rizzi A, Bayly CI, Chodera JD, Lim VT, Lim NM, Beauchamp KA, Slochower DR, Shirts MR, Eastman PK. Escaping atom types in force fields using direct chemical perception. Journal of Chemical Theory and Computation. PMID 30351006 DOI: 10.1021/Acs.Jctc.8B00640 |
0.674 |
|
| 2018 |
Bannan CC, Mobley DL, Skillman AG. SAMPL6 challenge results from [Formula: see text] predictions based on a general Gaussian process model. Journal of Computer-Aided Molecular Design. PMID 30324305 DOI: 10.1007/S10822-018-0169-Z |
0.566 |
|
| 2016 |
Bannan CC, Burley KH, Chiu M, Shirts MR, Gilson MK, Mobley DL. Blind prediction of cyclohexane-water distribution coefficients from the SAMPL5 challenge. Journal of Computer-Aided Molecular Design. 30: 927-944. PMID 27677750 DOI: 10.1007/S10822-016-9954-8 |
0.538 |
|
| 2016 |
Bannan CC, Calabro G, Kyu DY, Mobley DL. Calculating partition coefficients of small molecules in octanol/water and cyclohexane/water. Journal of Chemical Theory and Computation. PMID 27434695 DOI: 10.1021/Acs.Jctc.6B00449 |
0.595 |
|
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