New PDF release: Computational biophysics of membrane proteins

By Carmen Domene, Jonathan Hirst, Mary Luckey, Andrew Pohorille, Simone Furini, Amitabha Chattopadhyay, Ben Corry, Emad Tajkhorshid, Philip Biggin

ISBN-10: 1782624902

ISBN-13: 9781782624905

ISBN-10: 1782626697

ISBN-13: 9781782626695

ISBN-10: 1782629777

ISBN-13: 9781782629771

Exploring present subject matters in sleek computational and membrane protein biophysics, this booklet offers a complete account of the basic rules underlying varied equipment and strategies used to explain the fascinating mechanisms during which membrane proteins functionality. The booklet discusses the experimental ways hired to review those proteins, with chapters reviewing fresh the most important structural advances that experience allowed computational biophysicists to figure how those molecular machines paintings. The booklet then explores what computational equipment can be found to researchers and what those have taught us approximately 3 key households of membrane proteins: ion channels, transporters and receptors. The booklet is perfect for researchers in computational chemistry and computational biophysics

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Unfortunately, the high computational expense of atomistic MD simulations for membrane proteins remains a significant weakness for the investigation of other aspects of protein structure and function. Many biological phenomena that occur on extended timescales, such as protein folding, complex association and conformational changes associated with gating, are generally unattainable by atomistic equilibrium MD without the use of tailor-made software. 135 However, such technology is not widely available, leading to the development of alternative approaches to accelerate sampling.

K. Johri and R. M. Stroud, Crystal structure of a eukaryotic phosphate transporter, Nature, 2013, 496(7446), 533–536. 14. S. K. Bagal, A. D. Brown, P. J. Cox, K. Omoto, R. M. Owen, D. C. Pryde, B. Sidders, S. E. Skerratt, E. B. Stevens, R. I. Storer and N. A. Swain, Ion Channels as Therapeutic Targets: A Drug Discovery Perspective, J. Med. , 2013, 56(3), 593–624. 1039/9781782626695-00019 42 Chapter 2 15. R. J. Harvey and B. K. Yee, Glycine transporters as novel therapeutic targets in schizophrenia, alcohol dependence and pain, Nat.

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Computational biophysics of membrane proteins by Carmen Domene, Jonathan Hirst, Mary Luckey, Andrew Pohorille, Simone Furini, Amitabha Chattopadhyay, Ben Corry, Emad Tajkhorshid, Philip Biggin

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