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Items: 14


Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative.

Slochower DR, Henriksen NM, Wang LP, Chodera JD, Mobley DL, Gilson MK.

J Chem Theory Comput. 2019 Nov 12;15(11):6225-6242. doi: 10.1021/acs.jctc.9b00748. Epub 2019 Oct 25.


Open collaborative writing with Manubot.

Himmelstein DS, Rubinetti V, Slochower DR, Hu D, Malladi VS, Greene CS, Gitter A.

PLoS Comput Biol. 2019 Jun 24;15(6):e1007128. doi: 10.1371/journal.pcbi.1007128. eCollection 2019 Jun.


Escaping Atom Types in Force Fields Using Direct Chemical Perception.

Mobley DL, Bannan CC, Rizzi A, Bayly CI, Chodera JD, Lim VT, Lim NM, Beauchamp KA, Slochower DR, Shirts MR, Gilson MK, Eastman PK.

J Chem Theory Comput. 2018 Nov 13;14(11):6076-6092. doi: 10.1021/acs.jctc.8b00640. Epub 2018 Oct 30.


Motor-like Properties of Nonmotor Enzymes.

Slochower DR, Gilson MK.

Biophys J. 2018 May 8;114(9):2174-2179. doi: 10.1016/j.bpj.2018.02.008.


Overview of the SAMPL5 host-guest challenge: Are we doing better?

Yin J, Henriksen NM, Slochower DR, Shirts MR, Chiu MW, Mobley DL, Gilson MK.

J Comput Aided Mol Des. 2017 Jan;31(1):1-19. doi: 10.1007/s10822-016-9974-4. Epub 2016 Sep 22. Review.


The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method.

Yin J, Henriksen NM, Slochower DR, Gilson MK.

J Comput Aided Mol Des. 2017 Jan;31(1):133-145. doi: 10.1007/s10822-016-9970-8. Epub 2016 Sep 16.


Salmon-derived thrombin inhibits development of chronic pain through an endothelial barrier protective mechanism dependent on APC.

Smith JR, Galie PA, Slochower DR, Weisshaar CL, Janmey PA, Winkelstein BA.

Biomaterials. 2016 Feb;80:96-105. doi: 10.1016/j.biomaterials.2015.11.062. Epub 2015 Dec 2.


Physical chemistry and membrane properties of two phosphatidylinositol bisphosphate isomers.

Slochower DR, Wang YH, Radhakrishnan R, Janmey PA.

Phys Chem Chem Phys. 2015 May 21;17(19):12608-15. doi: 10.1039/c5cp00862j.


Polyelectrolyte properties of filamentous biopolymers and their consequences in biological fluids.

Janmey PA, Slochower DR, Wang YH, Wen Q, Cēbers A.

Soft Matter. 2014 Mar 14;10(10):1439-49. doi: 10.1039/c3sm50854d. Review.


Counterion-mediated pattern formation in membranes containing anionic lipids.

Slochower DR, Wang YH, Tourdot RW, Radhakrishnan R, Janmey PA.

Adv Colloid Interface Sci. 2014 Jun;208:177-88. doi: 10.1016/j.cis.2014.01.016. Epub 2014 Jan 30. Review.


Counterion-mediated cluster formation by polyphosphoinositides.

Wang YH, Slochower DR, Janmey PA.

Chem Phys Lipids. 2014 Sep;182:38-51. doi: 10.1016/j.chemphyslip.2014.01.001. Epub 2014 Jan 15. Review.


Quantum and all-atom molecular dynamics simulations of protonation and divalent ion binding to phosphatidylinositol 4,5-bisphosphate (PIP2).

Slochower DR, Huwe PJ, Radhakrishnan R, Janmey PA.

J Phys Chem B. 2013 Jul 18;117(28):8322-9. doi: 10.1021/jp401414y. Epub 2013 Jul 3.


Optimization of coded aperture radioscintigraphy for sentinel lymph node mapping.

Fujii H, Idoine JD, Gioux S, Accorsi R, Slochower DR, Lanza RC, Frangioni JV.

Mol Imaging Biol. 2012 Apr;14(2):173-82. doi: 10.1007/s11307-011-0494-2.


Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion.

Donald JE, Zhang Y, Fiorin G, Carnevale V, Slochower DR, Gai F, Klein ML, DeGrado WF.

Proc Natl Acad Sci U S A. 2011 Mar 8;108(10):3958-63. doi: 10.1073/pnas.1019668108. Epub 2011 Feb 14.

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