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Solid state physics

Production of coffee-dyed bacterial cellulose as a bio-leather and using it as a dye adsorbent

Hyunjin Kim, Hye Rim Kim

published 24 Mar 2022

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SenseNet, a tool for analysis of protein structure networks obtained from molecular dynamics simulations

Markus Schneider, Iris Antes

published 17 Mar 2022

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Sim2Ls: FAIR simulation workflows and data

Martin Hunt, Steven Clark, Daniel Mejia, Saaketh Desai, Alejandro Strachan

published 10 Mar 2022

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Insights into POT1 structural dynamics revealed by cryo-EM

Emmanuel W. Smith, Simon Lattmann, Zhehui Barry Liu, Bilal Ahsan, Daniela Rhodes

published 17 Feb 2022

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A proximity-based in silico approach to identify redox-labile disulfide bonds: The example of FVIII

Andrea Arsiccio, Clive Metcalfe, Roberto Pisano, Sanj Raut, Carmen Coxon

published 07 Feb 2022

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Lateral access mechanism of LPA receptor probed by molecular dynamics simulation

Rieko Suenaga, Mizuki Takemoto, Asuka Inoue, Ryuichiro Ishitani, Osamu Nureki

published 03 Feb 2022

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Test study and molecular dynamics simulation of Fe³⁺ modified TiO₂ absorbing automobile exhaust

Feng Lai, Hongliang Zhang, Kongfa Zhu, Man Huang

published 26 Jan 2022

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Structural and functional insights into the first Bacillus thuringiensis vegetative insecticidal protein of the Vpb4 fold, active against western corn rootworm

Jean-Louis Kouadio, Meiying Zheng, Michael Aikins, David Duda, Stephen Duff, Danqi Chen, Jun Zhang, Jason Milligan, Christina Taylor, Patricia Mamanella, Timothy Rydel, Colton Kessenich, Timothy Panosian, Yong Yin, William Moar, Kara Giddings, Yoonseong Park, Agoston Jerga, Jeffrey Haas

published 20 Dec 2021

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Protein conformational transitions explored by a morphing approach based on normal mode analysis in internal coordinates

Byung Ho Lee, Soon Woo Park, Soojin Jo, Moon Ki Kim

published 04 Nov 2021

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In silico repurposing of a Novobiocin derivative for activity against latency associated Mycobacterium tuberculosis drug target nicotinate-nucleotide adenylyl transferase (Rv2421c)

Ruben Cloete, Mohd Shahbaaz, Melanie Grobbelaar, Samantha L. Sampson, Alan Christoffels

published 02 Nov 2021

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Association between human paraoxonase 2 protein and efficacy of acetylcholinesterase inhibiting drugs used against Alzheimer’s disease

Fauzia Parween, Md. Summon Hossain, Kshetra Pal Singh, Rinkoo Devi Gupta

published 29 Oct 2021

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Testing for saturation in qualitative evidence syntheses: An update of HIV adherence in Africa

Anke Rohwer, Lynn Hendricks, Sandy Oliver, Paul Garner

published 19 Oct 2021

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Structural analysis of the boronic acid β-lactamase inhibitor vaborbactam binding to Pseudomonas aeruginosa penicillin-binding protein 3

Vijay Kumar, Samantha L. Viviani, Jeeda Ismail, Shreya Agarwal, Robert A. Bonomo, Focco van den Akker

published 15 Oct 2021

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