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A Maximum-Likelihood Approach to Force-Field Calibration.
Zaborowski B, Jagieła D, Czaplewski C, Hałabis A, Lewandowska A, Żmudzińska W, Ołdziej S, Karczyńska A, Omieczynski C, Wirecki T, Liwo A. Zaborowski B, et al. Among authors: liwo a. J Chem Inf Model. 2015 Sep 28;55(9):2050-70. doi: 10.1021/acs.jcim.5b00395. Epub 2015 Aug 20. J Chem Inf Model. 2015. PMID: 26263302
A general method for the derivation of the functional forms of the effective energy terms in coarse-grained energy functions of polymers. III. Determination of scale-consistent backbone-local and correlation potentials in the UNRES force field and force-field calibration and validation.
Liwo A, Sieradzan AK, Lipska AG, Czaplewski C, Joung I, Żmudzińska W, Hałabis A, Ołdziej S. Liwo A, et al. J Chem Phys. 2019 Apr 21;150(15):155104. doi: 10.1063/1.5093015. J Chem Phys. 2019. PMID: 31005069
Improved Consensus-Fragment Selection in Template-Assisted Prediction of Protein Structures with the UNRES Force Field in CASP13.
Karczyńska AS, Ziȩba K, Uciechowska U, Mozolewska MA, Krupa P, Lubecka EA, Lipska AG, Sikorska C, Samsonov SA, Sieradzan AK, Giełdoń A, Liwo A, Ślusarz R, Ślusarz M, Lee J, Joo K, Czaplewski C. Karczyńska AS, et al. Among authors: liwo a. J Chem Inf Model. 2020 Mar 23;60(3):1844-1864. doi: 10.1021/acs.jcim.9b00864. Epub 2020 Feb 11. J Chem Inf Model. 2020. PMID: 31999919 Free PMC article.
223 results