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Biological and Medicinal Chemistry

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PubChem and ChEMBL Beyond Lipinski

Alice Capecchi, Mahendra Awale, Daniel Probst, Jean-Louis Reymond

Version 2 posted 15 February 2019

1,386

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Biological and Medicinal Chemistry

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CANDOCK: Chemical Atomic Network Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

Jonathan Fine, Janez Konc, Ram Samudralal, Gaurav Chopra

Version 1 posted 15 October 2018

582

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1

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Theoretical and Computational Chemistry

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CONDUCTOR, a fast, efficient and robust tool for continuum solvation computations for macromolecules

Randy Zauhar, Andre Juffer

Version 1 posted 12 April 2024

117

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Biological and Medicinal Chemistry

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Visualizing biomolecules within living microglia in complex environments using a clickable small fluorogenic compound

Yeongran Hwang, Wonju Kim, Xiao Liu, Minkyo Jung, Srikanta Sahu, Ji-Young Mun, Young-Tae Chang, Beomsue Kim

Version 1 posted 15 November 2024

30

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Physical Chemistry

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Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water

Daniel Konstantinovsky, Ty Santiago, Matthew Tremblay, Garth Simpson, Sharon Hammes-Schiffer, Elsa Chui-Ying Yan

Version 1 posted 18 October 2023

238

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Biological and Medicinal Chemistry

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Natural Compounds from Djiboutian Medicinal Plants as Inhibitors of COVID-19 by in Silico Investigations

abdirahman elmi, S. al jawad sayem, Mohamed Ahmed, fatouma mohamed

Version 1 posted 19 May 2020

1,434

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3

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Analytical Chemistry

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Zero- to Ultralow-Field NMR Spectroscopy of Small Biomolecules

Piotr Put, Szymon Pustelny, Dmitry Budker, Emmanuel Druga, Tobias Sjolander, Alexander Pines, Danila Barskiy

Version 1 posted 09 November 2020

709

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Analytical Chemistry

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The crux of time: A meta-analysis of ex vivo whole blood degradation

Colin Elliott, Aaron Shafer, Theresa Stotesbury

Version 1 posted 20 April 2022

177

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Physical Chemistry

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Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems

Sarah I. Allec, Yijing Sun, Jianan Sun, Chia-En A. Chang, Bryan Wong

Version 1 posted 18 March 2019

496

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Physical Chemistry

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Zero- to Ultralow-Field Nuclear Magnetic Resonance Enhanced with Dissolution Dynamic Nuclear Polarization

Román Picazo-Frutos, Quentin Stern, John Blanchard, Olivier Cala, Morgan Ceillier, Samuel F. Cousin, James Eills, Stuart J. Elliott, Sami Jannin, Dmitry Budker

Version 2 posted 14 June 2022

708

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2

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12 results in biomolecules in Keywords: biomolecules

PubChem and ChEMBL Beyond Lipinski

CANDOCK: Chemical Atomic Network Based Hierarchical Flexible Docking Algorithm Using Generalized Statistical Potentials

CONDUCTOR, a fast, efficient and robust tool for continuum solvation computations for macromolecules

Visualizing biomolecules within living microglia in complex environments using a clickable small fluorogenic compound

Theoretical basis for interpreting heterodyne chirality-selective sum frequency generation spectra of water

Natural Compounds from Djiboutian Medicinal Plants as Inhibitors of COVID-19 by in Silico Investigations

Zero- to Ultralow-Field NMR Spectroscopy of Small Biomolecules

The crux of time: A meta-analysis of ex vivo whole blood degradation

Heterogeneous CPU+GPU-Enabled Simulations for DFTB Molecular Dynamics of Large Chemical and Biological Systems

Zero- to Ultralow-Field Nuclear Magnetic Resonance Enhanced with Dissolution Dynamic Nuclear Polarization

12 results in Keywords: biomolecules