عنوان

Innovations in biomolecular modeling and simulations /

(Number (ISBN

1849734615

(Number (ISBN

1849734623

(Number (ISBN

9781849734615

(Number (ISBN

9781849734622

Number

b432831

Title Proper

Innovations in biomolecular modeling and simulations /

General Material Designation

[Book]

First Statement of Responsibility

edited by Tamar Schlick

Place of Publication, Distribution, etc.

Cambridge :

Name of Publisher, Distributor, etc.

Royal Society of Chemistry,

Date of Publication, Distribution, etc.

c2012

Specific Material Designation and Extent of Item

2 v. :

Other Physical Details

ill. (some col.) ;

Dimensions

24 cm

Series Title

RSC biomolecular sciences ;

Volume Designation

23-24

Text of Note

Includes bibliographical references and index

Text of Note

v.1. Personal perspective / Harold A. Scheraga -- Fashioning NAMD, a history of risk and reward : Klaus Schulten reminisces / Lisa Pollack -- Toward biomolecular simulations with explicit inclusions of polarizability : Development of a CHARMM polarizable force field based on the classical Drude oscillator model / C.M. Baker, E. Darian and A.D. MacKerell Jr. -- Integral equation theory of biomolecules and electrolytes / Tyler Luchko, In Suk Joung and David A. Case -- Molecular simulation in the energy biosciences / Xiaolin Cheng ... [et al.] -- Enhancing the capacity of molecular dynamics simulations with trajectory fragments / Alfredo E. Cardenas and Ron Elber -- Computing reaction rates in bio-molecular systems using discrete macro-states / Eric Darve and Ernest Ryu -- Challenges in applying Monte Carlo sampling to biomolecular systems / M. Mezei -- Coarse-grain protein models / N. Ceres and R. Lavery -- Generalised multi-level coarse-grained molecular simulation and its application to myosin-V movement / William R. Taylor and Zoe Katsimitsoulia -- Top-down mesoscale models and free energy calculations of multivalent protein-protein and protein-membrane interactions in nanocarrier adhesion and receptor trafficking / Jin Liu ... [et al.] -- Studying proteins and peptides at material surfaces / Jun Feng, Gillian C. Lynch and B. Montgomery Pettitt -- Multiscale design : From theory to practice / J. Fish, V. Filonova and Z. Yuan

Text of Note

v.2. Modelling nucleic acid structure and flexibility : From atomic to mesoscopic scale / Filip Lankas -- Molecular dynamics and force field based methods for studying quadruplex nucleic acids / Shozeb M. Haider and Stephen Neidle -- Opposites attract : Shape and electrostatic complementarity in protein-DNA complexes / Robert C. Harris ... [et al.] -- Intrinsic motions of DNA polymerases underlie their remarkable specificity and selectivity and suggest a hybrid substrate binding mechanism / Meredith C. Foley, Karunesh Arora and Tamar Schlick -- Molecular dynamics structure prediction of a novel protein-DNA complex : Two HU proteins with a DNA four-way junction / Elizabeth G. Wheatley ... [et al.] -- Molecular dynamics simulations of RNA molecules / J. Sponer ... [et al.] -- The structure and folding of helical junctions in RNA / David M.J. Lilley -- Structure and dynamics of supercoiled DNA knots and catenanes / Guillaume Witz and Andrzej Stasiak -- Monte Carlo simulations of nucleosome chains to identify factors that control DNA compaction and access / Karsten Rippe, Rene Stehr and Gero Wedemann -- Sliding dynamics along DNA : A molecular perspective / Amir Marcovitz and Yaakov Levy -- Structure-based design technology CONTOUR and its application to drug discovery / Zhijie Liu ... [et al.] -- Molecular simulation in computer-aided drug design : Algorithms and applications / Robert V. Swift and Rommie E. Amaro -- Computer-aided drug discovery : Two antiviral drugs for HIV/AIDS / J. Andrew McCammon

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0

Parallel Title

Biomolecular modeling and simulations

Biomolecules

Biomolecules-- Models

Biomolecules-- Models-- Computer simulation

Molecular biology-- Mathematical models

Number

Edition

Class number

Class number

Book number

Book number

Schlick, Tamar

Date of Transaction

20121109023503.0

Electronic name

[Book]

Y