Raftul cu initiativa Book Archive


Computational Modeling of Biological Systems: From Molecules by Yi Wang, J. Andrew McCammon (auth.), Nikolay V Dokholyan

By Yi Wang, J. Andrew McCammon (auth.), Nikolay V Dokholyan (eds.)

Computational modeling is rising as a robust new method of examine and control organic structures. a number of tools were built to version, visualize, and rationally adjust platforms at a variety of size scales, ranging from molecular modeling and layout at atomic answer to mobile pathways modeling and research. larger time and size scale approaches, reminiscent of molecular evolution, have additionally vastly benefited from new breeds of computational methods. This e-book presents an outline of the demonstrated computational equipment used for modeling biologically and medically suitable systems.

Show description

Read or Download Computational Modeling of Biological Systems: From Molecules to Pathways PDF

Best mathematics books


For seven years, Paul Lockhart’s A Mathematician’s Lament loved a samizdat-style attractiveness within the arithmetic underground, sooner than call for triggered its 2009 ebook to even wider applause and debate. An impassioned critique of K–12 arithmetic schooling, it defined how we shortchange scholars via introducing them to math the other way.

Control of Coupled Partial Differential Equations

This quantity includes chosen contributions originating from the ‘Conference on optimum regulate of Coupled structures of Partial Differential Equations’, held on the ‘Mathematisches Forschungsinstitut Oberwolfach’ in April 2005. With their articles, major scientists disguise a large variety of subject matters corresponding to controllability, feedback-control, optimality platforms, model-reduction options, research and optimum keep watch over of movement difficulties, and fluid-structure interactions, in addition to difficulties of form and topology optimization.

Basic Hypergeometric Series, Second Edition (Encyclopedia of Mathematics and its Applications)

This up to date variation will proceed to fulfill the wishes for an authoritative entire research of the quickly starting to be box of uncomplicated hypergeometric sequence, or q-series. It contains deductive proofs, routines, and important appendices. 3 new chapters were further to this variation overlaying q-series in and extra variables: linear- and bilinear-generating services for easy orthogonal polynomials; and summation and transformation formulation for elliptic hypergeometric sequence.

Additional info for Computational Modeling of Biological Systems: From Molecules to Pathways

Example text

RC > 4:5A The Many Faces of Structure-Based Potentials: From Protein Folding Landscapes... 37 many unphysical or “occluded” contacts where atoms are interacting through an intervening atom. Since these interactions are mostly induced dipole interactions, electron screening effects should dampen the occluded interactions. van der Waals radii overlaps and geometric occlusions both provide the short range, first layer of atomic contacts. Geometric occlusion maps add longer range water- or cofactormediated contacts up to the cutoff distance.

Chem. Phys. 100, 9025–9031 (1994) 127. : Theory of free energy and entropy in noncovalent binding. Chem. Rev. 109, 4092–4107 (2009) 128. : Collective diffusion model for water permeation through microscopic channels. Phys. Rev. Lett. 93, 224,501 (2004). (4 pages) The Many Faces of Structure-Based Potentials: From Protein Folding Landscapes to Structural Characterization of Complex Biomolecules Jeffrey K. Noel and Jos´e N. Onuchic 1 Introduction Structural biology techniques, such as nuclear magnetic resonance (NMR), x-ray crystallography, and cryogenic electron microscopy (cryo-EM), have provided extraordinary insights into the details of the functional configurations of biomolecular systems.

49, 534–553 (2005) 106. : Equilibrium free energies from nonequilibrium measurements using maximum-likelihood methods. Phys. Rev. Lett. 91, 140,601 (2003) 107. : Gromacs: fast, flexible, and free. J. Comp. Chem. 26, 1701–1718 (2005) 108. : Accelerating molecular modeling applications with graphics processors. J. Comp. Chem. 28, 2618–2640 (2007) 109. : Discovery of raltegravir, a potent, selective orally bioavailable HIV-integrase inhibitor for the treatment of HIV-AIDS infection. J. Med. Chem. 51, 5843–5855 (2008) 30 Y.

Download PDF sample

Rated 4.44 of 5 – based on 48 votes