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AI System Generates Novel Proteins Meeting Structural Design Targets

AI System Generates Novel Proteins Meeting Structural Design Targets
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United Kingdom , David Kaplan , Philip Leduc , Tuomas Knowles , Markus Buehler , Cambridge University , Tufts University , Army Research Office , Buehler Laboratory For Atomistic , Office Of Naval Research , Us Department Of Energy , National Institutes Of Health , Us Department Of Agriculture , Watson Ai Lab , Jerry Mcafee Professor , Molecular Mechanics , Stern Family Professor , Mechanical Engineering , Carnegie Mellon University , National Institutes ,

AI system can generate novel proteins that meet structural design targets

A new machine-learning system can generate protein designs with certain structural features, and which do not exist in nature. These proteins could be utilized to make materials that have similar mechanical properties to existing materials, like polymers, but which would have a much smaller carbon footprint. ....

United Kingdom , Markus Buehler , Philip Leduc , David Kaplan , Tuomas Knowles , Office Of Naval Research , Buehler Laboratory For Atomistic , Tufts University , National Institutes Of Health , Cambridge University , Watson Ai Lab , Us Department Of Agriculture , Us Department Of Energy , Army Research Office , Jerry Mcafee Professor , Molecular Mechanics , Stern Family Professor , Mechanical Engineering , Carnegie Mellon University , National Institutes , No Ni , Ttention Based Diffusion Models , I Generated Proteins , Protein Structure , Iologically Inspired Materials , Ynthetic Proteins ,

Distant residues modulate conformational opening in SARS-CoV-2 spike protein

The novel coronavirus (SARS-CoV-2) pandemic resulted in the largest public health crisis in recent times. Significant drug design effort against SARS-CoV-2 is focused on the receptor-binding domain (RBD) of the spike protein, although this region is highly prone to mutations causing therapeutic resistance. We applied deep data analysis methods on all-atom molecular dynamics simulations to identify key non-RBD residues that play a crucial role in spike−receptor binding and infection. Because the non-RBD residues are typically conserved across multiple coronaviruses, they can be targeted by broad-spectrum antibodies and drugs to treat infections from new strains that might appear during future epidemics.

The MD trajectories are available from Zenodo at [doi.org/10.528c1/zenodo.5052691][1]. The codes and the residue correlation data used in this study are available from GitHub at <https://github.com/dhimanray/COVID-19-correlation-work>. All further details about the methods ....

Han I , Republic Of , South Africa , United States , United Kingdom , Trevor Gokey , Minh Khai , University Of California , Molecular Science Software Institute , World Health Organization , Vingroup Big Data Institute , World Health , Middle East , Molecular Mechanics , Graphical User Interface , Multiple Alignment , Fast Fourier Transform , Aligned Structural Homologs , Irvine High Performance Computing , Biomedical Informatics , Vinhomes Times City , Creative Commons Attribution License ,

Mechanisms of Chili's Heat, Menthol's Cool Garner Nobel | The Scientist Magazine®

David Julius and Ardem Patapoutian won this year s Nobel Prize in Physiology or Medicine for their research on the ion channels involved in perceiving heat, cold, pain, and touch. ....

United States , San Diego , Los Angeles , San Francisco , Ardem Patapoutian , Louis Reichardt , Eric Honore , Jeremy Thorner , David Julius , Michael Caterina , Alexander Chesler , Randy Schekman , Richard Axel , Scripps Research Institute , University Of California , Weizmann Institute Of Science Fabian Simone Passini , Johns Hopkins University School Of Medicine , Nobel Assembly , Columbia University , Scripps Research , American University , Nobel Prize , Institut De Pharmacologie Mol , Brighton Beach , Johns Hopkins University School , Julius Probes ,

ACS Nano: CNIC scientists describe a possible disease-causing mechanism in hypertrophic cardiomyopathy

A team led by Dr. Jorge Alegre-Cebollada has shown, for the first time, an association between hypertrophic cardiomyopathy and mechanical alterations to a component of the contractile machinery of the heart ....

Cienciae Innovaci , Investigaciones Cardiovasculares , Carmen Suay Corredera , Salud Carlos , Jorge Alegre Cebollada , School Of Medicine , Child Health Institute At Stanford University , Italian Ministry Of Education , European Research Area Network On Cardiovascular Diseases , Us National Institutes Of Health , Cardiovascular Biomedical Research Network , Biological Chemistry , Molecular Mechanics , Cardiovascular System , Ministerio De Ciencia , European Research Area Network , Cardiovascular Diseases , Instituto De Salud Carlos , Comunidad De Madrid , Italian Ministry , Child Health Institute , Medicine Health , சலுத் கார்லோஸ் , பள்ளி ஆஃப் மருந்து , இத்தாலிய அமைச்சகம் ஆஃப் கல்வி , எங்களுக்கு தேசிய நிறுவனங்கள் ஆஃப் ஆரோக்கியம் ,