Get Biomolecular modelling and simulations PDF

By Tatyana Karabencheva-Christova

ISBN-10: 0128000139

ISBN-13: 9780128000137

Published regularly considering the fact that 1944, the Advances in Protein Chemistry and Structural Biology sequence is the fundamental source for protein chemists. every one quantity brings forth new information regarding protocols and research of proteins. each one thematically equipped quantity is visitor edited by means of top specialists in a wide diversity of protein-related topics.

  • Describes advances in biomolecular modelling and simulations
  • Chapters are written via gurus of their field
  • Targeted to a large viewers of researchers, experts, and students
  • The details supplied within the quantity is easily supported via a few top of the range illustrations, figures, and tables

Show description

Read or Download Biomolecular modelling and simulations PDF

Similar chemistry books

Download PDF by S. H. Feng, J. S. Chen: Frontiers of Solid State Chemistry: Proceedings of the

Complaints of the Intl Symposium on strong nation Chemistry in China, held August 9-12, 2002 in Changchun, China. contains the superb study effects lately bought via a large spectrum of sturdy nation chemists either from China and from in another country.

Download e-book for kindle: Chemistry of Heterocyclic Compounds: Pyridine and its by

Content material: bankruptcy IX Aminopyridines (pages 1–177): Andrew S. Tomcufcik and Lee N. StarkerChapter X Pyridinecarboxylic Acids (pages 179–346): Eugene P. OlivetoChapter XI Pyridine aspect? Chain Carboxylic Acids (pages 347–507): John C. GodfreyChapter XII Pyridinols and Pyridones (pages 509–890): Herbert Meislich

Download e-book for iPad: Gregory S. Ezra: A Festschrift from Theoretical Chemistry by Srihari Keshavamurthy, Stephen Wiggins

During this Festschrift devoted to the sixtieth birthday of Gregory S. Ezra, chosen researchers in theoretical chemistry current learn highlights on significant advancements within the box. initially released within the magazine Theoretical Chemistry money owed, those striking contributions are actually to be had in a hardcover print structure, in addition to a different digital variation.

Extra info for Biomolecular modelling and simulations

Example text

Medina-Franco, J. , Marı´n, R. , Giulianotti, M. , et al. (2009). Characterization of activity landscapes using 2D and 3D similarity methods: Consensus activity cliffs. Journal of Chemical Information and Modeling, 49, 477–491. Medina-Franco, J. , Giulianotti, M. , Houghten, R. , & Pinilla, C. (2008). Visualization of the chemical space in drug discovery. Current Computer-Aided Drug Design, 4, 322–333. Medina-Franco, J. , & Meurice, N. (2014). Balancing novelty with confined chemical space in modern drug discovery.

In an excellent review, Garcia-Garcia et al. , 2012). Protein–protein binding interfaces are characterized by the presence of “hot spots,” that is, residues that provide a large fraction of the binding free energy. Using experimental approaches such as alanine scanning is known that residues frequently found in hot spots are tryptophan, arginine, and tyrosine. Tyrosine, phenylalanine, tryptofan, and leucine are considered as typical “anchor residues,” that is, residues with large buried area whose presence should reveal druggable pockets (small-molecule binding pockets) at the interface of protein–protein complex (Falchi, Caporuscio, & Recanatini, 2014).

Medina-Franco, J. L. (2012). Data mining of protein-binding profiling data identifies structural modifications that distinguish selective and promiscuous compounds. Journal of Chemical Information and Modeling, 52, 2454–2461. , Kim, J. , Robertson, K. , & Medina-Franco, J. L. (2012). Molecular modeling of inhibitors of human DNA methyltransferase with a crystal structure: Discovery of a novel DNMT1 inhibitor. Advances in Protein Chemistry and Structural Biology, 87, 219–247. , & Medina-Franco, J.

Download PDF sample

Biomolecular modelling and simulations by Tatyana Karabencheva-Christova


by Daniel
4.1

Rated 4.49 of 5 – based on 37 votes