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Transition state

Prediction of perturbed proton transfer networks

Marco Reidelbach, Marcus Weber, Petra Imhof

published 12 Dec 2018

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Prevalence, transitions and factors predicting transition between frailty states among rural community-dwelling older adults in Malaysia

Nur Sakinah Ahmad, Noran Naqiah Hairi, Mas Ayu Said, Shahrul Bahyah Kamaruzzaman, Wan Yuen Choo, Farizah Hairi, Sajaratulnisah Othman, Norliana Ismail, Devi Peramalah, Shathanapriya Kandiben, Zainudin Mohd Ali, Sharifah Nor Ahmad, Inayah Abdul Razak, Awang Bulgiba

published 05 Nov 2018

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Novel pathway for mutagenic tautomerization of classical А∙Т DNA base pairs via sequential proton transfer through quasi-orthogonal transition states: A QM/QTAIM investigation

Ol’ha O. Brovarets’, Kostiantyn S. Tsiupa, Dmytro M. Hovorun

published 27 Jun 2018

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Mutations close to a hub residue affect the distant active site of a GH1 β-glucosidase

Valquiria P. Souza, Cecília M. Ikegami, Guilherme M. Arantes, Sandro R. Marana

published 06 Jun 2018

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Bacterial versus human thymidylate synthase: Kinetics and functionality

Zahidul Islam, Ilya Gurevic, Timothy S. Strutzenberg, Ananda K. Ghosh, Tasnia Iqbal, Amnon Kohen

published 01 May 2018

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Thermal adaptation of mesophilic and thermophilic FtsZ assembly by modulation of the critical concentration

Luis Concha-Marambio, Paula Maldonado, Rosalba Lagos, Octavio Monasterio, Felipe Montecinos-Franjola

published 05 Oct 2017

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Defining and characterizing the critical transition state prior to the type 2 diabetes disease

Bo Jin, Rui Liu, Shiying Hao, Zhen Li, Chunqing Zhu, Xin Zhou, Pei Chen, Tianyun Fu, Zhongkai Hu, Qian Wu, Wei Liu, Daowei Liu, Yunxian Yu, Yan Zhang, Doff B. McElhinney, Yu-Ming Li, Devore S Culver, Shaun T. Alfreds, Frank Stearns, Karl G. Sylvester, Eric Widen, Xuefeng B. Ling

published 07 Jul 2017

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Computational explanation for bioactivation mechanism of targeted anticancer agents mediated by cytochrome P450s: A case of Erlotinib

Chun-Zhi Ai, Yong Liu, Wei Li, De-Meng Chen, Xin-Xing Zhu, Ya-Wei Yan, Du-Chu Chen, Yi-Zhou Jiang

published 19 Jun 2017

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Differential Assembly of Catalytic Interactions within the Conserved Active Sites of Two Ribozymes

Sabine N. S. van Schie, Raghuvir N. Sengupta, Daniel Herschlag

published 08 Aug 2016

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Selection for Protein Kinetic Stability Connects Denaturation Temperatures to Organismal Temperatures and Provides Clues to Archaean Life

M. Luisa Romero-Romero, Valeria A. Risso, Sergio Martinez-Rodriguez, Eric A. Gaucher, Beatriz Ibarra-Molero, Jose M. Sanchez-Ruiz

published 02 Jun 2016

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Use of an Improved Matching Algorithm to Select Scaffolds for Enzyme Design Based on a Complex Active Site Model

Xiaoqiang Huang, Jing Xue, Min Lin, Yushan Zhu

published 31 May 2016

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Why p-OMe- and p-Cl-β-Methylphenethylamines Display Distinct Activities upon MAO-B Binding

Angélica Fierro, Dale E. Edmondson, Cristian Celis-Barros, Marco Rebolledo-Fuentes, Gerald Zapata-Torres

published 06 May 2016

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Determinants of Cofactor Specificity for the Glucose-6-Phosphate Dehydrogenase from Escherichia coli: Simulation, Kinetics and Evolutionary Studies

Matias Fuentealba, Rodrigo Muñoz, Pablo Maturana, Adriana Krapp, Ricardo Cabrera

published 24 Mar 2016

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