Բեռնվում է…
Computational drug discovery and design /
Պահպանված է:
| Այլ հեղինակներ: | |
|---|---|
| Ձևաչափ: | Գիրք |
| Լեզու: | English |
| Հրապարակվել է: |
New York :
Humana Press,
2012.
|
| Շարք: | Methods in molecular biology (Clifton, N.J.) ;
v. 819. Springer protocols. |
| Խորագրեր: | |
| Առցանց հասանելիություն: | Inhaltsverzeichnis |
| Ցուցիչներ: |
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Չկան պիտակներ, Եղեք առաջինը, ով նշում է այս գրառումը!
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| LEADER | 05647nam a2200385 a 4500 | ||
|---|---|---|---|
| 001 | 000998651 | ||
| 003 | AM-YEHGA | ||
| 005 | 20220630203236.0 | ||
| 008 | 140117s2012 ||| r 000 0 eng d | ||
| 020 | |a 9781617794643 (alk. paper) | ||
| 020 | |a 1617794643 (alk. paper) | ||
| 020 | |a 9781617794650 (e-ISBN) | ||
| 020 | |a 1617794651 (e-ISBN) | ||
| 040 | |a AM-YEHGA |c AM-YeHGA | ||
| 041 | 0 | |a eng | |
| 245 | 0 | 0 | |a Computational drug discovery and design / |c ed. by Riccardo Baron. |
| 260 | |a New York : |b Humana Press, |c 2012. | ||
| 300 | |a xvii, 628 p. : |b ill. (some col.) ; |c 27 cm. | ||
| 490 | 1 | |a Methods in molecular biology ; |v 819 | |
| 490 | 1 | |a Springer protocols | |
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a 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 | |a Drugs |x Design |v Laboratory manuals. | |
| 650 | 0 | |a Drug development |v Laboratory manuals. | |
| 650 | 1 | 2 | |a Drug Design |v Laboratory Manuals. |
| 650 | 1 | 2 | |a Drug Discovery |x methods |v Laboratory Manuals. |
| 650 | 1 | 2 | |a Computational Biology |v Laboratory Manuals. |
| 650 | 2 | 2 | |a Computer-Aided Design |v Laboratory Manuals. |
| 700 | 1 | |a Baron, Riccardo. |e edt | |
| 830 | 0 | |a Methods in molecular biology (Clifton, N.J.) ; |v v. 819. | |
| 830 | 0 | |a Springer protocols. | |
| 856 | 4 | |u http://www.gbv.de/dms/bs/toc/683362992.pdf |m DE-601 |n Bibl.ISILDE-601 |y Inhaltsverzeichnis |o 04 | |
| 942 | |c BK | ||
| 999 | |c 332358 | ||
| 952 | |l 0 |o И II/21694 |p FL0282161 | ||