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http://dx.doi.org/10.1021/acsami.8b03424 | DOI Listing |
Methods Mol Biol
December 2024
Chemical and Biological Engineering Department, School of Engineering and Applied Sciences, State University of New York at Buffalo, Buffalo, NY, USA.
All-atom molecular dynamics (AAMD) is a computational technique that predicts the movement of particles based on the intermolecular forces acting on the system. It enables the study of biological systems at atomic detail, complements observations from experiments, and can help the selection of experimental targets. Here, we describe the applications of MD simulations to study the interaction between peripheral membrane proteins and lipid bilayers.
View Article and Find Full Text PDFScience
November 2024
Department of Physics, University of Antwerp, Antwerp, Belgium.
Twisted layers of atoms provide a tunable playground for quantum optoelectronics.
View Article and Find Full Text PDFCommun Biol
October 2024
School of Life Sciences, Ecole Polytechnique Fédérale de Lausanne, CH-1015, Lausanne, Switzerland.
The work by Hassabis and Jumper on protein structure prediction together with Baker’s supremacy in de novo protein design set the stage for a future where AI not only deciphers biology at the atomic level but also designs new molecules for biotechnology, medicine, and beyond. I provide an overview of the recent past, the present, and the future of AI in structural biology, from how it all started with the Critical Assessment of Structure Prediction (CASP) experiments and a protein engineering lab, to how the field could further evolve with AI models that eventually “understand” biology holistically.
View Article and Find Full Text PDFCrit Care
October 2024
Department of Critical Care Medicine, Renji Hospital, Shanghai Jiao Tong University, School of Medicine, Shanghai, 200001, China.
Epilepsy Curr
January 2024
Institute for Drug Research, School of Pharmacy, Faculty of Medicine, The Hebrew University of Jerusalem.
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