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Items: 1 to 20 of 31


Consistently dated Atlantic sediment cores over the last 40 thousand years.

Waelbroeck C, Lougheed BC, Vazquez Riveiros N, Missiaen L, Pedro J, Dokken T, Hajdas I, Wacker L, Abbott P, Dumoulin JP, Thil F, Eynaud F, Rossignol L, Fersi W, Albuquerque AL, Arz H, Austin WEN, Came R, Carlson AE, Collins JA, Dennielou B, Desprat S, Dickson A, Elliot M, Farmer C, Giraudeau J, Gottschalk J, Henderiks J, Hughen K, Jung S, Knutz P, Lebreiro S, Lund DC, Lynch-Stieglitz J, Malaizé B, Marchitto T, Martínez-Méndez G, Mollenhauer G, Naughton F, Nave S, Nürnberg D, Oppo D, Peck V, Peeters FJC, Penaud A, Portilho-Ramos RDC, Repschläger J, Roberts J, Rühlemann C, Salgueiro E, Sanchez Goni MF, Schönfeld J, Scussolini P, Skinner LC, Skonieczny C, Thornalley D, Toucanne S, Rooij DV, Vidal L, Voelker AHL, Wary M, Weldeab S, Ziegler M.

Sci Data. 2019 Sep 2;6(1):165. doi: 10.1038/s41597-019-0173-8.


Markov-State Transition Path Analysis of Electrostatic Channeling.

Liu Y, Hickey DP, Minteer SD, Dickson A, Calabrese Barton S.

J Phys Chem C Nanomater Interfaces. 2019 Jun 20;123(24):15284-15292. doi: 10.1021/acs.jpcc.9b02844. Epub 2019 May 22.


REVO: Resampling of ensembles by variation optimization.

Donyapour N, Roussey NM, Dickson A.

J Chem Phys. 2019 Jun 28;150(24):244112. doi: 10.1063/1.5100521.


Isothermal Analysis of ThermoFluor Data can readily provide Quantitative Binding Affinities.

Bai N, Roder H, Dickson A, Karanicolas J.

Sci Rep. 2019 Feb 25;9(1):2650. doi: 10.1038/s41598-018-37072-x.


Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor.

Kirberger SE, Ycas PD, Johnson JA, Chen C, Ciccone MF, Woo RWL, Urick AK, Zahid H, Shi K, Aihara H, McAllister SD, Kashani-Sabet M, Shi J, Dickson A, Dos Santos CO, Pomerantz WCK.

Org Biomol Chem. 2019 Feb 13;17(7):2020-2027. doi: 10.1039/c8ob02599a.


Mapping the Ligand Binding Landscape.

Dickson A.

Biophys J. 2018 Nov 6;115(9):1707-1719. doi: 10.1016/j.bpj.2018.09.021. Epub 2018 Sep 29.


Predicting ligand binding affinity using on- and off-rates for the SAMPL6 SAMPLing challenge.

Dixon T, Lotz SD, Dickson A.

J Comput Aided Mol Des. 2018 Oct;32(10):1001-1012. doi: 10.1007/s10822-018-0149-3. Epub 2018 Aug 23.


Structural insights into lethal contractural syndrome type 3 (LCCS3) caused by a missense mutation of PIP5Kγ.

Zeng X, Uyar A, Sui D, Donyapour N, Wu D, Dickson A, Hu J.

Biochem J. 2018 Jul 26;475(14):2257-2269. doi: 10.1042/BCJ20180326.


A biosensor-based framework to measure latent proteostasis capacity.

Wood RJ, Ormsby AR, Radwan M, Cox D, Sharma A, Vöpel T, Ebbinghaus S, Oliveberg M, Reid GE, Dickson A, Hatters DM.

Nat Commun. 2018 Jan 18;9(1):287. doi: 10.1038/s41467-017-02562-5.


Unbiased Molecular Dynamics of 11 min Timescale Drug Unbinding Reveals Transition State Stabilizing Interactions.

Lotz SD, Dickson A.

J Am Chem Soc. 2018 Jan 17;140(2):618-628. doi: 10.1021/jacs.7b08572. Epub 2018 Jan 5.


Kinetics of Ligand Binding Through Advanced Computational Approaches: A Review.

Dickson A, Tiwary P, Vashisth H.

Curr Top Med Chem. 2017;17(23):2626-2641. doi: 10.2174/1568026617666170414142908. Review.


Multiple Ligand Unbinding Pathways and Ligand-Induced Destabilization Revealed by WExplore.

Dickson A, Lotz SD.

Biophys J. 2017 Feb 28;112(4):620-629. doi: 10.1016/j.bpj.2017.01.006.


Optimal allosteric stabilization sites using contact stabilization analysis.

Dickson A, Bailey CT, Karanicolas J.

J Comput Chem. 2017 Jun 5;38(15):1138-1146. doi: 10.1002/jcc.24517. Epub 2016 Oct 24.


Capturing a Dynamic Chaperone-Substrate Interaction Using NMR-Informed Molecular Modeling.

Salmon L, Ahlstrom LS, Horowitz S, Dickson A, Brooks CL 3rd, Bardwell JC.

J Am Chem Soc. 2016 Aug 10;138(31):9826-39. doi: 10.1021/jacs.6b02382. Epub 2016 Aug 2.


Ligand Release Pathways Obtained with WExplore: Residence Times and Mechanisms.

Dickson A, Lotz SD.

J Phys Chem B. 2016 Jun 23;120(24):5377-85. doi: 10.1021/acs.jpcb.6b04012. Epub 2016 Jun 8.


Coupled folding and binding with 2D Window-Exchange Umbrella Sampling.

Dickson A, Ahlstrom LS, Brooks CL 3rd.

J Comput Chem. 2016 Mar 5;37(6):587-94. doi: 10.1002/jcc.24004. Epub 2015 Aug 6.


pH-dependent transient conformational states control optical properties in cyan fluorescent protein.

Laricheva EN, Goh GB, Dickson A, Brooks CL 3rd.

J Am Chem Soc. 2015 Mar 4;137(8):2892-900. doi: 10.1021/ja509233r. Epub 2015 Feb 18.


Multiscale modeling of a conditionally disordered pH-sensing chaperone.

Ahlstrom LS, Law SM, Dickson A, Brooks CL 3rd.

J Mol Biol. 2015 Apr 24;427(8):1670-80. doi: 10.1016/j.jmb.2015.01.002. Epub 2015 Jan 10.


Efficient in silico exploration of RNA interhelical conformations using Euler angles and WExplore.

Dickson A, Mustoe AM, Salmon L, Brooks CL 3rd.

Nucleic Acids Res. 2014 Oct 29;42(19):12126-37. doi: 10.1093/nar/gku799. Epub 2014 Oct 7.


WExplore: hierarchical exploration of high-dimensional spaces using the weighted ensemble algorithm.

Dickson A, Brooks CL 3rd.

J Phys Chem B. 2014 Apr 3;118(13):3532-42. doi: 10.1021/jp411479c. Epub 2014 Feb 11.

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