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Molecular Dynamic Simulation

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6 results in Keywords: Molecular Dynamic Simulation

Chemistry

Working Paper

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies

Shravan B. Rathod, Pravin B. Prajapati, Ranjan Pal, Mohmedyasin F. Mansuri

Version 3 posted 12 October 2021

848

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Chemistry

Working Paper

Performance of Microporous Carbon Electrodes for Supercapacitors: Comparing Graphene with Disordered Materials

Trinidad Mendez-Morales, Nidhal Ganfoud, Zhujie Li, Matthieu Haefele, Benjamin Rotenberg, Mathieu Salanne

Version 1 posted 05 October 2018

806

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Chemistry

Working Paper

In Silico Identification of Potential Allosteric Inhibitors of the SARS-CoV-2 Helicase

Adekunle Rowaiye, Olukemi Onuh, Titilayo Asala, Amoge Ogu, Doofan Bur, Ezinne Nwankwo, Uchenna Orji, Zainab Ibrahim, Jamila Hamza, Adaku Ugorji

Version 2 posted 30 June 2020

824

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Chemistry

Working Paper

Kanamycin Uptake into E. Coli Is Facilitated by OmpF and OmpC Porin Channels Located in the Outer Membrane

Jayesh Arun Bafna, Eulàlia Sans-Serramitjana, Silvia Acosta-Gutiérrez, Igor Bodrenko, Daniel Hörömpöli, Anne Berscheid, Heike Brötz-Oesterhelt, Mathias Winterhalter, Matteo Ceccarelli

Version 1 posted 10 February 2020

552

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Chemistry

Working Paper

The Role of Sodium Sulfate Supporting Electrolyte in Ammonium Transport and Reduction at Interface Between Platinum Cathode and Solution

Linji Xu, Yunsong Pang, Dezhao Huang, Huichuan Zhuang, Wenzong Liu, Tengfei Luo, Po-Heng Lee, Li Feng, Junchi Lu

Version 1 posted 23 October 2019

633

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Chemistry

Working Paper

Drug Repurposing for Rabies Treatment: A Computational Analysis of 14 Agents

Arslan Hameed

Version 1 posted 10 January 2024

109

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6 results in Molecular Dynamic Simulation in Keywords: Molecular Dynamic Simulation

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies

Performance of Microporous Carbon Electrodes for Supercapacitors: Comparing Graphene with Disordered Materials

In Silico Identification of Potential Allosteric Inhibitors of the SARS-CoV-2 Helicase

Kanamycin Uptake into E. Coli Is Facilitated by OmpF and OmpC Porin Channels Located in the Outer Membrane

The Role of Sodium Sulfate Supporting Electrolyte in Ammonium Transport and Reduction at Interface Between Platinum Cathode and Solution

Drug Repurposing for Rabies Treatment: A Computational Analysis of 14 Agents

6 results in Keywords: Molecular Dynamic Simulation