Works (7)
Updated: April 15th, 2024 04:43
2024 article
High-Throughput Computational Screening of Solid-Binding Peptides
Qi, X., & Pfaendtner, J. (2024, March 19). JOURNAL OF CHEMICAL THEORY AND COMPUTATION, Vol. 3.
Sources: Web Of Science, NC State University Libraries
Added: April 8, 2024
2024 journal article
Rational Design of Novel Biomimetic Sequence-Defined Polymers for Mineralization Applications
CHEMISTRY OF MATERIALS, 36(2), 786–794.
Sources: Web Of Science, NC State University Libraries
Added: February 12, 2024
2024 article
Thermodynamic Analysis of Silk Fibroin-Graphite Hybrid Materials and Their Morphology
Zorman, M., Phillips, C., Shi, C., Zhang, S., De Yoreo, J., & Pfaendtner, J. (2024, February 29). JOURNAL OF PHYSICAL CHEMISTRY B, Vol. 2.
Sources: Web Of Science, NC State University Libraries
Added: April 1, 2024
2023 journal article
Role of Surface Features on the Initial Dissolution of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Perovskite in Liquid Water: An Ab Initio Molecular Dynamics Study
ACS NANO, 17(22), 22371–22387.
author keywords: hybrid perovskite; MAPbI(3) HOIP; ab initio molecular dynamics; perovskite degradation; perovskite dissolution; interfaces
UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
(OpenAlex)
Sources: Web Of Science, NC State University Libraries
Added: December 11, 2023
2020 journal article
Enhanced Activity and Stability of Acidothermus cellulolyticus Endoglucanase 1 in Ionic Liquids via Engineering Active Site Residues and Non-Native Disulfide Bridges
ACS Sustainable Chemistry & Engineering, 8(30), 11299–11307.
TL;DR:
The rational mutagenesis and engineering of endoglucanase 1 from Acidothermus cellulolyticus, an industrially relevant cellulase, for improved biomass conversion in ionic liquids is reported.
(via Semantic Scholar)
Source: ORCID
Added: August 31, 2023
2018 journal article
Statistical models are able to predict ionic liquid viscosity across a wide range of chemical functionalities and experimental conditions
Molecular Systems Design & Engineering, 3(1), 253–263.
TL;DR:
A method of developing predictive models of viscosity for ionic liquids (ILs) using publicly available data in the ILThermo database and the open-source software toolkits PyChem, RDKit, and SciKit-Learn to evaluate its efficacy in a general-purpose setting.
(via Semantic Scholar)
Source: ORCID
Added: August 31, 2023
2016 journal article
Kinetics and mechanism of ionic-liquid induced protein unfolding: application to the model protein HP35
Molecular Systems Design & Engineering, 1(4), 382–390.
TL;DR:
An approach to quantify protein unfolding times using molecular simulation in a greatly accelerated manner compared to standard MD simulations, showing up to 400 fold speed increases, should be appropriate for a wide range of protein unfolding simulations in the future.
(via Semantic Scholar)
Source: ORCID
Added: August 31, 2023
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