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The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures.
Zahariev F, Xu P, Westheimer BM, Webb S, Galvez Vallejo J, Tiwari A, Sundriyal V, Sosonkina M, Shen J, Schoendorff G, Schlinsog M, Sattasathuchana T, Ruedenberg K, Roskop LB, Rendell AP, Poole D, Piecuch P, Pham BQ, Mironov V, Mato J, Leonard S, Leang SS, Ivanic J, Hayes J, Harville T, Gururangan K, Guidez E, Gerasimov IS, Friedl C, Ferreras KN, Elliott G, Datta D, Cruz DDA, Carrington L, Bertoni C, Barca GMJ, Alkan M, Gordon MS. Zahariev F, et al. Among authors: harville t. J Chem Theory Comput. 2023 Oct 24;19(20):7031-7055. doi: 10.1021/acs.jctc.3c00379. Epub 2023 Oct 4. J Chem Theory Comput. 2023. PMID: 37793073
Recent developments in the general atomic and molecular electronic structure system.
Barca GMJ, Bertoni C, Carrington L, Datta D, De Silva N, Deustua JE, Fedorov DG, Gour JR, Gunina AO, Guidez E, Harville T, Irle S, Ivanic J, Kowalski K, Leang SS, Li H, Li W, Lutz JJ, Magoulas I, Mato J, Mironov V, Nakata H, Pham BQ, Piecuch P, Poole D, Pruitt SR, Rendell AP, Roskop LB, Ruedenberg K, Sattasathuchana T, Schmidt MW, Shen J, Slipchenko L, Sosonkina M, Sundriyal V, Tiwari A, Galvez Vallejo JL, Westheimer B, Włoch M, Xu P, Zahariev F, Gordon MS. Barca GMJ, et al. Among authors: harville t. J Chem Phys. 2020 Apr 21;152(15):154102. doi: 10.1063/5.0005188. J Chem Phys. 2020. PMID: 32321259
Intramolecular hydrogen bonding analysis.
Harville T, Gordon MS. Harville T, et al. J Chem Phys. 2022 May 7;156(17):174302. doi: 10.1063/5.0090648. J Chem Phys. 2022. PMID: 35525666
Analysis of bonding motifs in unusual molecules II: infinitene.
Ferreras KN, Harville T, Del Angel Cruz D, Gordon MS. Ferreras KN, et al. Among authors: harville t. Phys Chem Chem Phys. 2024 Aug 14;26(32):21407-21418. doi: 10.1039/d4cp01802h. Phys Chem Chem Phys. 2024. PMID: 39081231
Correction: Development of ACE2 autoantibodies after SARS-CoV-2 infection.
Arthur JM, Forrest JC, Boehme KW, Kennedy JL, Owens S, Herzog C, Liu J, Harville TO. Arthur JM, et al. Among authors: harville to. PLoS One. 2024 Nov 20;19(11):e0314426. doi: 10.1371/journal.pone.0314426. eCollection 2024. PLoS One. 2024. PMID: 39565738 Free PMC article.
DNA structural features and variability of complete MHC locus sequences.
Wassenaar TM, Harville T, Chastain J, Wanchai V, Ussery DW. Wassenaar TM, et al. Among authors: harville t. Front Bioinform. 2024 Jul 3;4:1392613. doi: 10.3389/fbinf.2024.1392613. eCollection 2024. Front Bioinform. 2024. PMID: 39022183 Free PMC article. Review.
HLA-DR-DQ associations, combined with PLASMIC score, are reliable predictors of acquired thrombotic thrombocytopenic purpura (aTTP) and aid in differentiating aTTP from other thrombotic microangiopathies.
Pandey S, Shrivastava A, Harville YI, Cottler-Fox M, Harville TO. Pandey S, et al. Among authors: harville to. Hematol Transfus Cell Ther. 2024 Nov;46 Suppl 5(Suppl 5):S170-S180. doi: 10.1016/j.htct.2023.11.016. Epub 2024 Feb 8. Hematol Transfus Cell Ther. 2024. PMID: 38631980 Free PMC article.
43 results