computational

Computational study on the polymerization reaction of D-aminopeptidase for the synthesis of D-peptides

RSC Adv., 2020, 10,17582-17592
DOI: 10.1039/D0RA01138J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Joan Gimenez-Dejoz, Kousuke Tsuchiya, Ayaka Tateishi, Yoko Motoda, Takanori Kigawa, Yasuhisa Asano, Keiji Numata
We studied the molecular mechanism of D-aminopeptidase for the synthesis of polypeptides incorporating D-amino acids.
The content of this RSS Feed (c) The Royal Society of Chemistry




computational

Impacts of hydrogen bonding interactions with Np(V/VI)O2Cl4 complexes: vibrational spectroscopy, redox behavior, and computational analysis

Dalton Trans., 2020, Advance Article
DOI: 10.1039/D0DT00848F, Paper
Mikaela M. Pyrch, Jennifer L. Bjorklund, James M. Williams, Daniel L. Parr IV, Sara E. Mason, Johna Leddy, Tori Z. Forbes
Crystallization of neptunyl(V) tetrachlorides over neptunyl(VI) species occurs simultaneously with charge assisted hydrogen bonding in our solid state materials, which we explored by DFT calculations, cyclic voltammograms, and Raman spectroscopy.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




computational

Computational researchers pledge openness in COVID-19 studies

Hundreds of researchers commit to sharing data and tools so they can better work together to understand and treat SARS-CoV-2




computational

[ASAP] Co(salen)-Catalyzed Oxidation of Lignin Models to Form Benzoquinones and Benzaldehydes: A Computational and Experimental Study

ACS Sustainable Chemistry & Engineering
DOI: 10.1021/acssuschemeng.0c01970




computational

Computational fluid dynamics (CFD) and reaction modelling study of bio-oil catalytic hydrodeoxygenation in microreactors

React. Chem. Eng., 2020, Advance Article
DOI: 10.1039/D0RE00102C, Paper
Sanaa Hafeez, Elsa Aristodemou, George Manos, S. M. Al-Salem, Achilleas Constantinou
A computational fluid dynamics (CFD) model was derived and validated in order to investigate the hydrodeoxygenation reaction of 4-propylguaiacol, which is a lignin-derived compound present in bio-oil.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




computational

[ASAP] Computational Investigation of APOBEC3H Substrate Orientation and Selectivity

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01857




computational

Advances in computational intelligence and autonomy for aerospace systems / edited by John Valasek

Barker Library - TL565.A353 2018




computational

Computational investigation of the ligand effect on the chemo/regioselectivity and reactivity of cobalt-catalysed hydroformylation

Catal. Sci. Technol., 2020, Advance Article
DOI: 10.1039/C9CY02562F, Paper
Pan Li, Chaoren Shen, Jie Min, Jing-Yuan Mei, Huan Zheng, Lin He, Xinxin Tian
The ligand effect on the chemo/regioselectivity and reactivity of cobalt-catalysed hydroformylation has been discussed.
To cite this article before page numbers are assigned, use the DOI form of citation above.
The content of this RSS Feed (c) The Royal Society of Chemistry




computational

Construction and application of computationally tractable theories on nonlinear spectroscopy




computational

A framework for evaluating the computational aspects of mobile phones




computational

A computational kinematics and evolutionary approach to model molecular flexibility for bionanotechnology




computational

Statistical atlases and computational models of the heart: Multi-Sequence CMR Segmentation, CRT-EPiggy and LV Full Quantification Challenges: 10th International Workshop, STACOM 2019, held in conjunction with MICCAI 2019, Shenzhen, China, October 13, 201

Online Resource




computational

Computational systems biology approaches in cancer research / edited by Inna Kuperstein, Emmanuel Barillot

Dewey Library - RC267.C594 2020




computational

The computational mechanics of bone tissue: biological behaviour, remodelling algorithms and numerical applications / Jorge Belinha, Maria-Cristina Manzanares-Céspedes, António M. G. Completo, editors

Online Resource




computational

'Essentials of cancer genomic, computational approaches and precision medicine / Nosheen Masood, Saima Shakil Malik, editors

Online Resource




computational

Advanced computational intelligence in healthcare. Ilias Maglogiannis, Sheryl Brahnam, Lakhmi C. Jain, editors

Online Resource




computational

Mathematical and computational methods in photonics and phononics / Habib Ammari [and five others]

Hayden Library - TA1520.A46 2018




computational

New trends in computational electromagnetics / edited by Özgür Ergül.

Online Resource