Publications by authors named "David R Slochower"

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Tuning Potential Functions to Host-Guest Binding Data.
Jeffry Setiadi, Simon Boothroyd, David R Slochower, David L Dotson, Matthew W Thompson

J Chem Theory Comput· January 2024

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The SAMPL6 SAMPLing challenge: assessing the reliability and efficiency of binding free energy calculations.
Andrea Rizzi, Travis Jensen, David R Slochower, Matteo Aldeghi, Vytautas Gapsys

J Comput Aided Mol Des· May 2020

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Divalent cations bind to phosphoinositides to induce ion and isomer specific propensities for nano-cluster initiation in bilayer membranes.
Ryan P Bradley, David R Slochower, Paul A Janmey, Ravi Radhakrishnan

R Soc Open Sci· May 2020

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Binding Thermodynamics of Host-Guest Systems with SMIRNOFF99Frosst 1.0.5 from the Open Force Field Initiative.
David R Slochower, Niel M Henriksen, Lee-Ping Wang, John D Chodera, David L Mobley

J Chem Theory Comput· November 2019

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Open collaborative writing with Manubot.
Daniel S Himmelstein, Vincent Rubinetti, David R Slochower, Dongbo Hu, Venkat S Malladi

PLoS Comput Biol· June 2019

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Escaping Atom Types in Force Fields Using Direct Chemical Perception.
David L Mobley, Caitlin C Bannan, Andrea Rizzi, Christopher I Bayly, John D Chodera, David R Slochower

J Chem Theory Comput· November 2018

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Motor-like Properties of Nonmotor Enzymes.
David R Slochower, Michael K Gilson

Biophys J· May 2018

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The SAMPL5 host-guest challenge: computing binding free energies and enthalpies from explicit solvent simulations by the attach-pull-release (APR) method.
Jian Yin, Niel M Henriksen, David R Slochower, Michael K Gilson

J Comput Aided Mol Des· January 2017

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Overview of the SAMPL5 host-guest challenge: Are we doing better?
Jian Yin, Niel M Henriksen, David R Slochower, Michael R Shirts, Michael W Chiu

J Comput Aided Mol Des· January 2017

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Salmon-derived thrombin inhibits development of chronic pain through an endothelial barrier protective mechanism dependent on APC.
Jenell R Smith, Peter A Galie, David R Slochower, Christine L Weisshaar, Paul A Janmey

Biomaterials· February 2016

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Physical chemistry and membrane properties of two phosphatidylinositol bisphosphate isomers.
David R Slochower, Yu-Hsiu Wang, Ravi Radhakrishnan, Paul A Janmey

Phys Chem Chem Phys· May 2015

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Counterion-mediated cluster formation by polyphosphoinositides.
Yu-Hsiu Wang, David R Slochower, Paul A Janmey

Chem Phys Lipids· September 2014

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Counterion-mediated pattern formation in membranes containing anionic lipids.
David R Slochower, Yu-Hsiu Wang, Richard W Tourdot, Ravi Radhakrishnan, Paul A Janmey

Adv Colloid Interface Sci· June 2014

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Polyelectrolyte properties of filamentous biopolymers and their consequences in biological fluids.
Paul A Janmey, David R Slochower, Yu-Hsiu Wang, Qi Wen, Andrejs Cēbers

Soft Matter· March 2014

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Quantum and all-atom molecular dynamics simulations of protonation and divalent ion binding to phosphatidylinositol 4,5-bisphosphate (PIP2).
David R Slochower, Peter J Huwe, Ravi Radhakrishnan, Paul A Janmey

J Phys Chem B· July 2013

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Optimization of coded aperture radioscintigraphy for sentinel lymph node mapping.
Hirofumi Fujii, John D Idoine, Sylvain Gioux, Roberto Accorsi, David R Slochower

Mol Imaging Biol· April 2012

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Transmembrane orientation and possible role of the fusogenic peptide from parainfluenza virus 5 (PIV5) in promoting fusion.
Jason E Donald, Yao Zhang, Giacomo Fiorin, Vincenzo Carnevale, David R Slochower

Proc Natl Acad Sci U S A· March 2011

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