Search Result "umbrella sampling"


Molecular Pockets, Umbrellas and Quasi Podands from Steroids: Synthesis, Structure and Applications

Journal: Mini-Reviews in Organic Chemistry
Volume: 12 Issue: 3 Year: 2015 Page: 258-270
Author(s): Tomasz Pospieszny

Exercise for Adults with Fibromyalgia: An Umbrella Systematic Review with Synthesis of Best Evidence

Journal: Current Rheumatology Reviews
Volume: 10 Issue: 1 Year: 2014 Page: 45-79
Author(s): Julia Bidonde,Angela Jean Busch,Brenna Bath,Stephan Milosavljevic

Role of Ensemble Conformational Sampling Using Molecular Docking & Dynamics in Drug Discovery

Ebook: Frontiers in Computational Chemistry
Volume: 6 Year: 2022
Author(s):
Doi: 10.2174/9789815036848122060004

Recent Advances in Unique Sample Preparation Techniques for Biological and Environmental Analysis

Ebook: Recent Advances in Analytical Techniques
Volume: 1 Year: 2017
Author(s): Akira Namera,Takeshi Saito
Doi: 10.2174/9781681084473117010003

Conformational Sampling and Energetics of Drug-Like Molecules

Journal: Current Medicinal Chemistry
Volume: 16 Issue: 2 Year: 2009 Page: 3381-3413
Author(s): Nicolas Foloppe, I-Jen Chen

Drug Design by Generalized-Ensemble Simulations

Journal: Current Pharmaceutical Design
Volume: 17 Issue: 1 Year: 2011 Page: 1758-1772
Author(s): Yuko Okamoto

New Concepts of Deployable De-Orbit and Re-Entry Systems for CubeSat Miniaturized Satellites

Journal: Recent Patents on Engineering
Volume: 8 Issue: 1 Year: 2014 Page: 2-12
Author(s): Valerio Carandente,Raffaele Savino

Research Article

Early Blockage of Mycobacterium Tuberculosis Cell-wall Synthesis viaEchA\6 Inhibition to Overcome Resistance Strain: Insights from UmbrellaSampling Simulations

Journal: Current Bioactive Compounds
Volume: 19 Issue: 10 Year: 2023 Page: 2-17
Author(s): Rafee Habib Askandar,Heshw Farhad Mohammed

Research Article

Jellyfish Tissue Extract as Inhibition Effect of Jellyfish Olindiassambaquiensis Müller (1861) Sting

Journal: Venoms and Toxins
Volume: 3 Issue: 1 Year: 2023 Page: 30-37
Author(s): Fabiana F. M. de Barba,Carla Camila Bazi,Marcos Luiz Pessatti

Sudden Unexpected Death in Infancy (SUDI) — The Role of the Pathologist

Journal: Current Pediatric Reviews
Volume: 6 Issue: 1 Year: 2010 Page: 21-26
Author(s): Roger W. Byard

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