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David W. Kastner on Muck Rack

David W. Kastner

(He/Him)
Boston
As seen in: Nature, Wiley Online Library, ACS Publications, Royal Society of Chemistry, BioRxiv, Cell Press, The Journal of Biological Chemistry
Covers:  protein engineering, bioengineering, molecular dynamics, quantum mechanics
MIT Bioengineering Ph.D. student and artist studying high-valent metalloenzymes. illustratedatom.com

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David W. Kastner’s Biography

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David is a bioengineering Ph.D. student at MIT interested in computational methods such as molecular dynamics and quantum mechanics to better understand the molecules that make life possible. His publications lay at the cross-over of high-performance computing and the application of cutting-edge algorithms for studying chemical systems.

David W. Kastner’s Journalist Portfolio

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ASCL1 represses a SOX9+ neural crest stem-like state in small cell lung cancer

ASCL1 represses a SOX9+ neural crest stem-like state in small cell lung cancer

ASCL1 is a neuroendocrine lineage-specific oncogenic driver of small cell lung cancer (SCLC), highly expresse…

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MYC Drives Temporal Evolution of Small Cell Lung Cancer Subtypes by Reprogramming Neuroendocrine ...

MYC Drives Temporal Evolution of Small Cell Lung Cancer Subtypes by Reprogramming Neuroendocrine ...

MYC activates Notch signaling to dedifferentiate neuroendocrine small cell lung cancer (SCLC) in a conserved …

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Impact of Dehydroamino Acids on the Structure and Stability of Incipient 310-Helical Peptides

Impact of Dehydroamino Acids on the Structure and Stability of Incipient 310-Helical Peptides

A comparative study of the impact of small, medium-sized, and bulky α,β-dehydroamino acids (ΔAAs) on the stru…

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Humanin induces conformational changes in the apoptosis regulator BAX and sequesters it into fibe...

Humanin induces conformational changes in the apoptosis regulator BAX and sequesters it into fibe...

The mitochondrial, or intrinsic, apoptosis pathway is regulated mainly by members of the B-cell lymphoma 2 (B…

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Computational Modelling of Peptides Containing Non-Standard Amino Acids

Computational Modelling of Peptides Containing Non-Standard Amino Acids

Peptides represent a class of abundant and potent pharmaceutic compounds. Despite their appeal, the design, s…

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"The Ultimate Triumph of Truth"

"The Ultimate Triumph of Truth"

Valedictorian speech for the graduating class of 2019. The speech emphasizes the importance of interdisciplin…

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Articles

QuantumPDB: A Workflow for High-Throughput Quantum Cluster Model Generation from Protein Structures Click to copy article link Article link copied!

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By David W. Kastner, Weiliang Luo, Wilson Ho
| dx.doi.org
1. Introduction Click to copy section linkSection link copied! Enzymes catalyze challenging chemical transformations with high efficiency and selectivity under physiological conditions. (1−3) Their remarkable activity results from electronic and electrostatic properties such as polarization, (4,5) charge transfer, (6−8) local electric fields, (9−16) as well as precise substrate positioning (17−19) and conformational dynamics.
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pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis Click to copy article link Article link copied!

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By Melissa T. Manetsch, David W. Kastner, Yuriy Roman-Leshkov
| dx.doi.org
1. Introduction Click to copy section linkSection link copied! Electrostatic preorganization is increasingly recognized as a central driving force in catalytic reactions. Warshel first proposed that strong electric fields exist within enzyme active sites and play a crucial role in enzymatic rate enhancement.
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The energetic landscape of CH-π interactions in protein-carbohydrate binding

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By Allison Keys, David W. Kastner, Laura Kiessling, Heather J. Kulik
| Royal Society of Chemistry Verified
The energetic landscape of CH–π interactions in protein–carbohydrate binding† CH–π interactions between carbohydrates and aromatic amino acids play an essential role in biological systems that span all domains of life. Quantifying the strength and importance of these CH–π interactions is challenging because these interactions involve several atoms and can exist in many distinct orientations.
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