Publications by authors named "Sami Selim"

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Improved Treatment of 1-4 Interactions in Force Fields for Molecular Dynamics Simulations.
Aalim S Abdullah, Yingze Wang, Maximilian F S J Menger, Selim Sami, Teresa Head-Gordon

J Chem Theory Comput· November 2025

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Management of spinal epidural abscess complicating psoas abscess: A retrospective study of 30 patients.
Rasha Abdelhameed Zaki, Mariam Abd-Elrasheed Ghanem, Ahmed Abd Elfattah Mostafa, Sami Moussa Selim, Mahmoud Kamel Elawady

Medicine (Baltimore)· October 2025

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Completely Multipolar Model as a General Framework for Many-Body Interactions as Illustrated for Water.
Joseph P Heindel, Selim Sami, Teresa Head-Gordon

J Chem Theory Comput· October 2024

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Simple and Accurate One-Body Energy and Dipole Moment Surfaces for Water and Beyond.
Selim Sami, R Allen LaCour, Joseph P Heindel, Teresa Head-Gordon

J Phys Chem Lett· July 2024

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Capturing chemical reactions inside biomolecular condensates with reactive Martini simulations.
Christopher Brasnett, Armin Kiani, Selim Sami, Sijbren Otto, Siewert J Marrink

Commun Chem· July 2024

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Reactive Martini: Chemical Reactions in Coarse-Grained Molecular Dynamics Simulations.
Selim Sami, Siewert J Marrink

J Chem Theory Comput· July 2023

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Strategies for Enhancing the Dielectric Constant of Organic Materials.
Selim Sami, Riccardo Alessandri, Jeff B W Wijaya, Fabian Grünewald, Alex H de Vries

J Phys Chem C Nanomater Interfaces· November 2022

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M-Chem: a Modular Software Package for Molecular Simulation that Spans Scientific Domains.
Jagna Witek, Joseph P Heindel, Xingyi Guan, Itai Leven, Hongxia Hao, Selim Sami

Mol Phys· October 2022

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Modelling structural properties of cyanine dye nanotubes at coarse-grained level.
Ilias Patmanidis, Paulo C T Souza, Selim Sami, Remco W A Havenith, Alex H de Vries

Nanoscale Adv· July 2022

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Fullerene derivatives with oligoethylene-glycol side chains: an investigation on the origin of their outstanding transport properties.
Jingjin Dong, Selim Sami, Daniel M Balazs, Riccardo Alessandri, Fatimeh Jahani

J Mater Chem C Mater· November 2021

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Q-Force: Quantum Mechanically Augmented Molecular Force Fields.
Selim Sami, Maximilian F S J Menger, Shirin Faraji, Ria Broer, Remco W A Havenith

J Chem Theory Comput· August 2021

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Amphipathic Side Chain of a Conjugated Polymer Optimizes Dopant Location toward Efficient N-Type Organic Thermoelectrics.
Jian Liu, Gang Ye, Hinderikus G O Potgieser, Marten Koopmans, Selim Sami

Adv Mater· January 2021

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N-type organic thermoelectrics: demonstration of ZT > 0.3.
Jian Liu, Bas van der Zee, Riccardo Alessandri, Selim Sami, Jingjin Dong

Nat Commun· November 2020

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How Ethylene Glycol Chains Enhance the Dielectric Constant of Organic Semiconductors: Molecular Origin and Frequency Dependence.
Selim Sami, Riccardo Alessandri, Ria Broer, Remco W A Havenith

ACS Appl Mater Interfaces· April 2020

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Biobased Chemicals: 1,2,4-Benzenetriol, Selective Deuteration and Dimerization to Bifunctional Aromatic Compounds.
Caelan Randolph, Ciaran W Lahive, Selim Sami, Remco W A Havenith, Hero J Heeres

Org Process Res Dev· December 2018

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Can the Dielectric Constant of Fullerene Derivatives Be Enhanced by Side-Chain Manipulation? A Predictive First-Principles Computational Study.
Selim Sami, Pi A B Haase, Riccardo Alessandri, Ria Broer, Remco W A Havenith

J Phys Chem A· April 2018

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Cyphenothrin Flea and Tick Squeeze-On for Dogs: Evaluation of Potential Health Risks Based on the Results of Observational Biological Monitoring.
Jeffrey H Driver, John H Ross, Larry R Holden, Sami Selim, Janice K Sharp

J Toxicol Environ Health A· January 2016

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Revised methods for estimating potential reentry exposure associated with indoor crack and crevice and perimeter application.
Jeffrey H Driver, John H Ross, Muhilan Pandian, Sami Selim, Janice K Sharp

J Toxicol Environ Health A· August 2013

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Skin contact transfer of three fragrance residues from candles to human hands.
Anne Marie Api, Amy Bredbenner, Margaret McGowen, David Niemiera, Lori Parker, Sami Selim

Regul Toxicol Pharmacol· August 2007

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Biomarker of pyrethrum exposure.
Gabriele Leng, Wolfgang Gries, Sami Selim

Toxicol Lett· April 2006

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