Skip to main page content
Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation

Search Page

My NCBI Filters
Text availability
Article attribute
Article type
Publication date

Search Results

92 results
Filters applied: . Clear all Results are displayed in a computed author sort order. Results by year timeline is unavailable
Page 1
SARS-CoV-2 Simulations Go Exascale to Capture Spike Opening and Reveal Cryptic Pockets Across the Proteome.
Zimmerman MI, Porter JR, Ward MD, Singh S, Vithani N, Meller A, Mallimadugula UL, Kuhn CE, Borowsky JH, Wiewiora RP, Hurley MFD, Harbison AM, Fogarty CA, Coffland JE, Fadda E, Voelz VA, Chodera JD, Bowman GR. Zimmerman MI, et al. Among authors: chodera jd. bioRxiv. 2020 Oct 7:2020.06.27.175430. doi: 10.1101/2020.06.27.175430. Preprint. bioRxiv. 2020. PMID: 32637963 Free PMC article.
Machine Learning Force Fields and Coarse-Grained Variables in Molecular Dynamics: Application to Materials and Biological Systems.
Gkeka P, Stoltz G, Barati Farimani A, Belkacemi Z, Ceriotti M, Chodera JD, Dinner AR, Ferguson AL, Maillet JB, Minoux H, Peter C, Pietrucci F, Silveira A, Tkatchenko A, Trstanova Z, Wiewiora R, Lelièvre T. Gkeka P, et al. Among authors: chodera jd. J Chem Theory Comput. 2020 Aug 11;16(8):4757-4775. doi: 10.1021/acs.jctc.0c00355. Epub 2020 Jul 16. J Chem Theory Comput. 2020. PMID: 32559068 Free PMC article. Review.
SARS-CoV-2 RBD antibodies that maximize breadth and resistance to escape.
Starr TN, Czudnochowski N, Liu Z, Zatta F, Park YJ, Addetia A, Pinto D, Beltramello M, Hernandez P, Greaney AJ, Marzi R, Glass WG, Zhang I, Dingens AS, Bowen JE, Tortorici MA, Walls AC, Wojcechowskyj JA, De Marco A, Rosen LE, Zhou J, Montiel-Ruiz M, Kaiser H, Dillen JR, Tucker H, Bassi J, Silacci-Fregni C, Housley MP, di Iulio J, Lombardo G, Agostini M, Sprugasci N, Culap K, Jaconi S, Meury M, Dellota E Jr, Abdelnabi R, Foo SC, Cameroni E, Stumpf S, Croll TI, Nix JC, Havenar-Daughton C, Piccoli L, Benigni F, Neyts J, Telenti A, Lempp FA, Pizzuto MS, Chodera JD, Hebner CM, Virgin HW, Whelan SPJ, Veesler D, Corti D, Bloom JD, Snell G. Starr TN, et al. Among authors: chodera jd. Nature. 2021 Sep;597(7874):97-102. doi: 10.1038/s41586-021-03807-6. Epub 2021 Jul 14. Nature. 2021. PMID: 34261126
SARS-CoV-2 simulations go exascale to predict dramatic spike opening and cryptic pockets across the proteome.
Zimmerman MI, Porter JR, Ward MD, Singh S, Vithani N, Meller A, Mallimadugula UL, Kuhn CE, Borowsky JH, Wiewiora RP, Hurley MFD, Harbison AM, Fogarty CA, Coffland JE, Fadda E, Voelz VA, Chodera JD, Bowman GR. Zimmerman MI, et al. Among authors: chodera jd. Nat Chem. 2021 Jul;13(7):651-659. doi: 10.1038/s41557-021-00707-0. Epub 2021 May 24. Nat Chem. 2021. PMID: 34031561 Free PMC article.
Antibodies to the SARS-CoV-2 receptor-binding domain that maximize breadth and resistance to viral escape.
Starr TN, Czudnochowski N, Zatta F, Park YJ, Liu Z, Addetia A, Pinto D, Beltramello M, Hernandez P, Greaney AJ, Marzi R, Glass WG, Zhang I, Dingens AS, Bowen JE, Wojcechowskyj JA, De Marco A, Rosen LE, Zhou J, Montiel-Ruiz M, Kaiser H, Tucker H, Housley MP, di Iulio J, Lombardo G, Agostini M, Sprugasci N, Culap K, Jaconi S, Meury M, Dellota E, Cameroni E, Croll TI, Nix JC, Havenar-Daughton C, Telenti A, Lempp FA, Pizzuto MS, Chodera JD, Hebner CM, Whelan SPJ, Virgin HW, Veesler D, Corti D, Bloom JD, Snell G. Starr TN, et al. Among authors: chodera jd. bioRxiv. 2021 Apr 8:2021.04.06.438709. doi: 10.1101/2021.04.06.438709. Preprint. bioRxiv. 2021. PMID: 33851154 Free PMC article. Updated.
Circulating SARS-CoV-2 spike N439K variants maintain fitness while evading antibody-mediated immunity.
Thomson EC, Rosen LE, Shepherd JG, Spreafico R, da Silva Filipe A, Wojcechowskyj JA, Davis C, Piccoli L, Pascall DJ, Dillen J, Lytras S, Czudnochowski N, Shah R, Meury M, Jesudason N, De Marco A, Li K, Bassi J, O'Toole A, Pinto D, Colquhoun RM, Culap K, Jackson B, Zatta F, Rambaut A, Jaconi S, Sreenu VB, Nix J, Zhang I, Jarrett RF, Glass WG, Beltramello M, Nomikou K, Pizzuto M, Tong L, Cameroni E, Croll TI, Johnson N, Di Iulio J, Wickenhagen A, Ceschi A, Harbison AM, Mair D, Ferrari P, Smollett K, Sallusto F, Carmichael S, Garzoni C, Nichols J, Galli M, Hughes J, Riva A, Ho A, Schiuma M, Semple MG, Openshaw PJM, Fadda E, Baillie JK, Chodera JD; ISARIC4C Investigators; COVID-19 Genomics UK (COG-UK) Consortium, Rihn SJ, Lycett SJ, Virgin HW, Telenti A, Corti D, Robertson DL, Snell G. Thomson EC, et al. Among authors: chodera jd. Cell. 2021 Mar 4;184(5):1171-1187.e20. doi: 10.1016/j.cell.2021.01.037. Epub 2021 Jan 28. Cell. 2021. PMID: 33621484 Free PMC article.
Is Structure-Based Drug Design Ready for Selectivity Optimization?
Albanese SK, Chodera JD, Volkamer A, Keng S, Abel R, Wang L. Albanese SK, et al. Among authors: chodera jd. J Chem Inf Model. 2020 Dec 28;60(12):6211-6227. doi: 10.1021/acs.jcim.0c00815. Epub 2020 Oct 29. J Chem Inf Model. 2020. PMID: 33119284
92 results
You have reached the last page of results. A maximum of 10,000 results are available.
Jump to page