Computational drug discovery and design / edited by Mohini Gore, Umesh B. Jagtap
| Medienart: |
Buch |
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| Erscheinungsjahr: |
[2018] © 2018 |
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| Erschienen: |
New York, N.Y: Humana Press ; 2018 © 2018 |
| Reihe: |
Methods in molecular biology - 1762 |
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| Sprache: |
Englisch |
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| Beteiligte Personen: |
Gore, Mohini [HerausgeberIn] |
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| Links: |
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| ISBN: |
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| BKL: | |
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| Themen: |
Arzneimitteldesign |
| Anmerkungen: |
Includes bibliographical references and index |
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| Umfang: |
xii, 488 Seiten ; Illustrationen, Diagramme ; 25.4 cm x 17.8 cm |
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| doi: |
10.1007/978-1-4939-7756-7 |
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| funding: |
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| Förderinstitution / Projekttitel: |
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| PPN (Katalog-ID): |
1019757418 |
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| 245 | 1 | 0 | |a Computational drug discovery and design |c edited by Mohini Gore, Umesh B. Jagtap |
| 264 | 1 | |a New York, N.Y |b Humana Press |c [2018] | |
| 264 | 4 | |c © 2018 | |
| 300 | |a xii, 488 Seiten |b Illustrationen, Diagramme |c 25.4 cm x 17.8 cm | ||
| 336 | |a Text |b txt |2 rdacontent | ||
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| 490 | 1 | |a Methods in molecular biology |v 1762 | |
| 490 | 0 | |a Springer protocols | |
| 500 | |a Includes bibliographical references and index | ||
| 505 | 8 | 0 | |t Computer-aided drug design : an overview |r Alan Talevi |
| 505 | 8 | 0 | |t Prediction of human drug targets and their interactions using machine learning methods : current and future perspectives |r Abhigyan Nath, Priyanka Kumari, and Radha Chaube |
| 505 | 8 | 0 | |t Practices in molecular docking and structure-based virtual screening |r Ricardo N. dos Santos, Leonardo G. Ferreira, and Adriano D. Andricopulo |
| 505 | 8 | 0 | |t Phylogenetic and other conservation-based approaches to predict protein functional sites |r Heval Atas, Nurcan Tuncbag, and Tunca Dogan |
| 505 | 8 | 0 | |t De novo design of ligands using computational methods |r Venkatesan Suryanarayanan, Umesh Panwar, Ishwar Chandra, and Sanjeev Kumar Singh |
| 505 | 8 | 0 | |t Molecular dynamics simulation and prediction of druggable binding sites |r Tianhua Feng and Khaled Barakat |
| 505 | 8 | 0 | |t Virtual ligand screening using PL-PatchSurfer2, a molecular surface-based protein-ligand docking method |r Woong-Hee Shin and Daisuke Kihara |
| 505 | 8 | 0 | |t Fragment-based ligand designing |r Shashank P. Katiyar, Vidhi Malik, Anjani Kumari, Kamya Singh, and Durai Sundar |
| 505 | 8 | 0 | |t Molecular dynamics as a tool for virtual ligand screening |r Gregory Menchon, Laurent Maveyraud, and Georges Czaplicki |
| 505 | 8 | 0 | |t Building molecular interaction networks from microarray data for drug target screening |r Sze Chung Yuen, Hongmei Zhu, and Siu-wai Leung |
| 505 | 8 | 0 | |t Absolute alchemical free energy calculations for ligand binding : a beginner's guide |r Matteo Aldeghi, Joseph P. Bluck, and Philip C. Biggin |
| 505 | 8 | 0 | |t Evaluation of protein-ligand docking by cyscore |r Yang Cao, Wentao Dai, and Zhichao Miao |
| 505 | 8 | 0 | |t Molecular dynamics simulations of protein-drug complexes : a computational protocol for investigating the interactions of small-molecule therapeutics with biological targets and biosensors |r Jodi A. Hadden and Juan R. Perilla |
| 505 | 8 | 0 | |t Prediction and optimization of pharmacokinetic and toxicity properties of the ligand |r Douglas E. V. Pires, Lisa M. Kaminskas, and David B. Ascher |
| 505 | 8 | 0 | |t Protein-protein docking in drug design and discovery |r Agnieszka A. Kaczor, Damian Bartuzi, Tomasz Maciej Stepniewski, Dariusz Matosiuk, and Jana Selent |
| 505 | 8 | 0 | |t Automated inference of chemical discriminants of biological activity |r Sebastian Raschka, Anne M. Scott, Mar Huertas, Weiming Li, and Leslie A. Kuhn |
| 505 | 8 | 0 | |t Computational exploration of conformational transitions in protein drug targets |r Benjamin P. Cossins, Alastair D. G. Lawson, and Jiye Shi |
| 505 | 8 | 0 | |t Applications of the NRGsuite and the molecular docking software FlexAID in computational drug discovery and design |r Louis-Philippe Morency, Francis Gaudreault, and Rafael Najmanovich |
| 505 | 8 | 0 | |t Calculation of thermodynamic properties of bound water molecules |r Ying Yang, Amr H. A. Abdallah, and Markus A. Lill |
| 505 | 8 | 0 | |t Enhanced molecular dynamics methods applied to drug design projects |r Sonia Ziada, Abdennour Braka, Julien Diharce, Samia Aci-Seche, and Pascal Bonnet |
| 505 | 8 | 0 | |t AGGRESCAN3D : toward the prediction of the aggregation propensities of protein structures |r Jordi Pujols, Samuel Pena-Diaz, and Salvador Ventura |
| 505 | 8 | 0 | |t Computational analysis of solvent inclusion in docking studies of protein-glycosaminoglycan systems |r Sergey A. Samsonov |
| 505 | 8 | 0 | |t Understanding G protein-coupled receptor allostery via molecular dynamics simulations : implications for drug discovery |r Shaherin Basith, Yoonji Lee, and Sun Choi |
| 505 | 8 | 0 | |t Identification of potential microRNA biomarkers by meta-analysis |r Hongmei Zhu and Siu-wai Leung. |
| 650 | 0 | |a Drugs |x Design |v Laboratory manuals | |
| 650 | 2 | |a Drug Design | |
| 650 | 2 | |a Drug Discovery | |
| 650 | 2 | |a Molecular Docking Simulation | |
| 655 | 2 | |a Laboratory Manuals | |
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