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Computational drug discovery and design / (Record no. 332358)

MARC details
000 -LEADER
fixed length control field	05618nam a2200373 a 4500
001 - CONTROL NUMBER
control field	000998651
003 - CONTROL NUMBER IDENTIFIER
control field	AM-YeHGA
005 - DATE AND TIME OF LATEST TRANSACTION
control field	20220630203236.0
008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION
fixed length control field	140117s2012 \|\|\| r 000 0 eng d
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number	9781617794643 (alk. paper)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number	1617794643 (alk. paper)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number	9781617794650 (e-ISBN)
020 ## - INTERNATIONAL STANDARD BOOK NUMBER
International Standard Book Number	1617794651 (e-ISBN)
040 ## - CATALOGING SOURCE
Original cataloging agency	AM-YeHGA
041 0# - LANGUAGE CODE
Language code of text/sound track or separate title	eng
245 00 - TITLE STATEMENT
Title	Computational drug discovery and design /
Statement of responsibility, etc.	ed. by Riccardo Baron.
260 ## - PUBLICATION, DISTRIBUTION, ETC.
Place of publication, distribution, etc.	New York :
Name of publisher, distributor, etc.	Humana Press,
Date of publication, distribution, etc.	2012.
300 ## - PHYSICAL DESCRIPTION
Extent	xvii, 628 p. :
Other physical details	ill. (some col.) ;
Dimensions	27 cm.
490 1# - SERIES STATEMENT
Series statement	Methods in molecular biology ;
Volume/sequential designation	819
490 1# - SERIES STATEMENT
Series statement	Springer protocols
504 ## - BIBLIOGRAPHY, ETC. NOTE
Bibliography, etc. note	Includes bibliographical references and index.
505 0# - FORMATTED CONTENTS NOTE
Formatted contents note	A molecular dynamics ensemble-based approach for the mapping of druggable binding sites / Anthony Ivetac and J. Andrew McCammon -- Analysis of protein binding sites by computational solvent mapping / David R. Hall, Dima Kozakov, and Sandor Vajda -- Evolutionary trace for prediction and redesign of protein functional sites / Angela Wilkins ... [et al.] -- Information entropic functions for molecular descriptor profiling / Anne Mai Wassermann ... [et al.] -- Expanding the conformational selection paradigm in protein-ligand docking / Guray Kuzu ... [et al.] -- Flexibility analysis of biomacromolecules with application to computer-aided drug design / Simone Fulle and Holger Gohlke -- On the use of molecular dynamics receptor conformations for virtual screening / Sara E. Nichols, Riccardo Baron, and J. Andrew McCammon -- Virtual ligand screening against comparative protein structure models / Hao Fan, John J. Irwin, and Andrej Sali -- AMMOS software : method and application / Tania Pencheva ... [et al.] -- Rosetta ligand docking with flexible XML protocols / Gordon Lemmon and Jens Meiler -- Normal mode-based approaches in receptor ensemble docking / Claudio N. Cavasotto -- Application of conformational clustering in protein-ligand docking / Giovanni Bottegoni, Walter Rocchia, and Andrea Cavalli -- How to benchmark methods for structure-based virtual screening of large compound libraries / Andrew J. Christofferson and Niu Huang -- AGGRESCAN : method, application, and perspectives for drug design / Natalia S. de Groot ... [et al.] -- ATTRACT and PTOOLS : open source programs for protein-protein docking Sebastian Schneider ... [et al.] -- Prediction of interacting protein residues using sequence and structure data / Vedran Franke, Mile Sikic, and Kristian Vlahovicek -- MM-GB/SA rescoring of docking poses / Cristiano R.W. Guimaraes -- A case study of scoring and rescoring in peptide docking / Zunnan Huang and Chung F. Wong -- The solvated interaction energy method for scoring binding affinities / Traian Sulea and Enrico O. Purisima -- Linear interaction energy : method and applications in drug design / Hugo Guitierrez-de-Teran and Johan Aqvist -- Estimation of conformational entropy in protein-ligand interactions : a computational perspective / Anton A. Polyansky, Ruben Zubac, and Bojan Zagrovic -- Explicit treatment of water molecules in data-driven protein-protein docking : the solvated HADDOCKing approach / Panagiotis L. Kastritis, Aalt D.J. van Dijk, and Alexandre M.J.J. Bonvin -- Protein-water interactions in MD simulations : POPS/POPSCOMP solvent accessibility analysis, solvation forces and hydration sites / Arianna Fornili ... [et al.] -- Computing the thermodynamic contributions of interfacial water / Zheng Li and Themis Lazaridis -- Assignment of protonation states in proteins and ligands : combining pKa prediction with hydrogen bonding network optimization / Elmar Krieger ... [et al.] -- Best practices in free energy calculations for drug design / Michael R. Shirts -- Independent-trajectory thermodynamic integration : a practical guide to protein-drug binding free energy calculations using distributed computing / Morgan Lawrenz ... [et al.] -- Free energy calculations from one-step perturbations / Chris Oostenbrink -- Using metadynamics and path collective variables to study ligand binding and induced conformational transitions / Neva Besker and Francesco L. Gervasio -- Accelerated molecular dynamics in computational drug design / Jeff Wereszczynski and J. Andrew McCammon -- Molecular dynamics applied in drug discovery : the case of HIV-1 protease / Yi Shang and Carlos Simmerling -- Decomposing the energetic impact of drug-resistant mutations : the example of HIV-1 protease-DRV binding / Yufeng Cai and Celia Schiffer -- Guide to virtual screening : application to the Akt phosphatase PHLPP / William Sinko ... [et al.] -- Molecular-level simulation of pandemic influenza glycoproteins / Rommie E. Amaro and Wilfred W. Li -- Homology modeling of cannabinoid receptors : discovery of cannabinoid analogues for therapeutic use / Chia-en A. Chang ... [et al.] -- High-throughput virtual screening lead to discovery of non-peptidic inhibitors of West Nile virus NS3 protease / Danzhi Huang.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element	Drugs
General subdivision	Design
Form subdivision	Laboratory manuals.
650 #0 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element	Drug development
Form subdivision	Laboratory manuals.
650 12 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element	Drug Design
Form subdivision	Laboratory Manuals.
650 12 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element	Drug Discovery
General subdivision	methods
Form subdivision	Laboratory Manuals.
650 12 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element	Computational Biology
Form subdivision	Laboratory Manuals.
650 22 - SUBJECT ADDED ENTRY--TOPICAL TERM
Topical term or geographic name entry element	Computer-Aided Design
Form subdivision	Laboratory Manuals.
700 1# - ADDED ENTRY--PERSONAL NAME
Personal name	Baron, Riccardo.
Relator term	edt
830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE
Uniform title	Methods in molecular biology (Clifton, N.J.) ;
Volume/sequential designation	v. 819.
830 #0 - SERIES ADDED ENTRY--UNIFORM TITLE
Uniform title	Springer protocols.
856 4# - ELECTRONIC LOCATION AND ACCESS
Uniform Resource Identifier	<a href="http://www.gbv.de/dms/bs/toc/683362992.pdf">http://www.gbv.de/dms/bs/toc/683362992.pdf</a>
Contact for access assistance	DE-601
Name of location of host	Bibl.ISILDE-601
Link text	Inhaltsverzeichnis
Operating system	04
942 ## - ADDED ENTRY ELEMENTS (KOHA)
Source of classification or shelving scheme
Koha item type	Գրքեր/Books

Holdings
Withdrawn status	Lost status	Damaged status	Not for loan	Collection code	Home library	Current library	Date acquired	Shelving control number	Total Checkouts	Full call number	Barcode	Date last seen	Koha item type	Public note
					Fundamental Scientific Library	Fundamental Scientific Library	09/01/2017			И II/21694	FL0282161	09/01/2017	Գրքեր/Books	30 Days Loan