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Molecular structure

Correlations between molecular structure and biological activity in "logical series" of dietary chromone derivatives

Włodzimierz Lewandowski, Hanna Lewandowska, Aleksandra Golonko, Grzegorz Świderski, Renata Świsłocka, Monika Kalinowska

published 21 Aug 2020

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Side chain flexibility and the symmetry of protein homodimers

Yaffa Shalit, Inbal Tuvi-Arad

published 24 Jul 2020

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Predicting human odor perception represented by continuous values from mass spectra of essential oils resembling chemical mixtures

Tanoy Debnath, Takamichi Nakamoto

published 19 Jun 2020

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Gap variability upon packing in organic photovoltaics

D. López-Durán, Etienne Plésiat, Michal Krompiec, Emilio Artacho

published 16 Jun 2020

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Using advanced vibrational molecular spectroscopy to detect moist heating induced protein structure changes in cool-climate adapted barley grain

Xin Feng, Baoli Sun, Huihua Zhang, Peiqiang Yu

published 05 Jun 2020

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The aroma of TEMED as an activation and stabilizing signal for the antibacterial enzyme HEWL

Zahra Seraj, Shahin Ahmadian, Matthew R. Groves, Arefeh Seyedarabi

published 19 May 2020

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2.7 Å cryo-EM structure of vitrified M. musculus H-chain apoferritin from a compact 200 keV cryo-microscope

Farzad Hamdi, Christian Tüting, Dmitry A. Semchonok, Koen M. Visscher, Fotis L. Kyrilis, Annette Meister, Ioannis Skalidis, Lisa Schmidt, Christoph Parthier, Milton T. Stubbs, Panagiotis L. Kastritis

published 06 May 2020

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Effect of linker on the binding free energy of stapled p53/HDM2 complex

Haeri Im, Sihyun Ham

published 30 Apr 2020

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Cobalt ion interaction with TMEM16A calcium-activated chloride channel: Inhibition and potentiation

Dung M. Nguyen, Louisa S. Chen, Grace Jeng, Wei-Ping Yu, Tsung-Yu Chen

published 17 Apr 2020

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Exploring the molecular structures that confer ligand selectivity for galanin type II and III receptors

Yoo-Na Lee, Arfaxad Reyes-Alcaraz, Seongsik Yun, Cheol Soon Lee, Jong-Ik Hwang, Jae Young Seong

published 31 Mar 2020

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P3a amplitude is related to conclusion specificity during category-based induction

Hong Wang, Ruifang Cui, Changquan Long

published 04 Mar 2020

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MESSAR: Automated recommendation of metabolite substructures from tandem mass spectra

Youzhong Liu, Aida Mrzic, Pieter Meysman, Thomas De Vijlder, Edwin P. Romijn, Dirk Valkenborg, Wout Bittremieux, Kris Laukens

published 16 Jan 2020

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Improving graphs of cycles approach to structural similarity of molecules

Stefi Nouleho Ilemo, Dominique Barth, Olivier David, Franck Quessette, Marc-Antoine Weisser, Dimitri Watel

published 27 Dec 2019

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