Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Barry Isralewitz"'
Publikováno v:
Proc UrgentHPC 2021 (2021)
Over the past 18 months, the need to perform atomic detail molecular dynamics simulations of the SARS-CoV-2 virion, its spike protein, and other structures related to the viral infection cycle has led biomedical researchers worldwide to urgently seek
Autor:
Zaida Luthey-Schulten, Barry Isralewitz, AJ Christensen, Stuart Levy, Donna Cox, Melih Sener, Robert Patterson, Kalina Borkiewicz, C. Neil Hunter, Jeff Carpenter, John E. Stone
Publikováno v:
Parallel Computing
Parallel Comput
Parallel Comput
Conversion of sunlight into chemical energy, namely photosynthesis, is the primary energy source of life on Earth. A visualization depicting this process, based on multiscale computational models from electronic to cell scales, is presented in the fo
Autor:
Donna Cox, Robert Patterson, Stuart Levy, AJ Christensen, Kalina Borkiewicz, Jeff Carpenter, Melih Sener, John Stone, Barry Isralewitz
Publikováno v:
SIGGRAPH ASIA Computer Animation Festival.
Autor:
Jeff Carpenter, Barry Isralewitz, Donna Cox, AJ Christensen, Melih Sener, Stuart Levy, John E. Stone, Robert Patterson, Kalina Borkiewicz
Publikováno v:
ACM SIGGRAPH 2019 Computer Animation Festival.
This visualization of the quantum-mechanical process of photosynthesis involved combining structural models from atomic, protein, organelle, and cell scales. We descend into a prehistoric hot spring, revealing primitive bacteria which use an early fo
Autor:
Emad Tajkhorshid, Danielle E. Chandler, Christopher Maffeo, Christophe Chipot, Barry Isralewitz, Ulrich Kleinekathöfer, Klaus Schulten, Melih Sener, David J. K. Swainsbury, Aleksei Aksimentiev, P. Tieleman, Zaida Luthey-Schulten, Karelia H. Delgado-Magnero, Abhishek Singharoy, Taras V. Pogorelov, John E. Stone, M. I. Mallus, John Vant, C. N. Hunter, James C. Phillips, Ivan Teo
Publikováno v:
SSRN Electronic Journal.
We report the first 100-million atom-scale model of an entire cell organelle, a photosynthetic chromatophore vesicle from a purple bacterium, which reveals the cascade of energy-conversionsteps culminating into the generation of ATP from sunlight. Mo
Autor:
Klaus Schulten, C. Neil Hunter, Angela M. Barragan, John E. Stone, Melih Sener, Barry Isralewitz, Lena F. Kourkoutis, Matthew P. Johnson, James C. Phillips, Bo Liu, Abhishek Singharoy, Craig MacGregor-Chatwin, João V. Ribeiro, Ivan Teo, Kirby L. Vandivort, Boon Chong Goh
Publikováno v:
Parallel Computing. 55:17-27
The cellular process responsible for providing energy for most life on Earth, namely, photosynthetic light-harvesting, requires the cooperation of hundreds of proteins across an organelle, involving length and time scales spanning several orders of m
Autor:
Abhishek Singharoy, Melih Sener, James C. Phillips, D. Peter Tieleman, John E. Stone, John Vant, Zaida Luthey-Schulten, Christophe Chipot, Taras V. Pogorelov, Emad Tajkhorshid, Danielle E. Chandler, Karelia H. Delgado-Magnero, C. Neil Hunter, Christopher Maffeo, M. Ilaria Mallus, Ulrich Kleinekathöfer, Aleksei Aksimentiev, Barry Isralewitz, Jonathan Nguyen, Klaus Schulten, David J. K. Swainsbury, Andrew Hitchcock, Ivan Teo
Publikováno v:
Cell
Bioenergetic membranes are the key cellular structures responsible for coupled energy-conversion processes, which supply ATP and important metabolites to the cell. Here, we report the first 100-million atom-scale model of an entire photosynthetic org
Publikováno v:
Faraday Discuss.. 169:265-283
Hybrid structure fitting methods combine data from cryo-electron microscopy and X-ray crystallography with molecular dynamics simulations for the determination of all-atom structures of large biomolecular complexes. Evaluating the quality-of-fit obta
Publikováno v:
Journal of Molecular Graphics and Modelling. 19:13-25
Molecular recognition and mechanical properties of proteins govern molecular processes in the cell that can cause disease and can be targeted for drug design. Single molecule measurement techniques have greatly advanced knowledge but cannot resolve e
Publikováno v:
Proceedings of the National Academy of Sciences. 96:1351-1356
The 10th type III module of fibronectin possesses a β -sandwich structure consisting of seven β -strands (A–G) that are arranged in two antiparallel sheets. It mediates cell adhesion to surfaces via its integrin binding motif, Arg 78 , Gly 79 , a