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Computational drug discovery and des...
~
Jagtap, Umesh B.
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Computational drug discovery and design /
紀錄類型:
書目-語言資料,印刷品 : Monograph/item
正題名/作者:
Computational drug discovery and design // edited by Mohini Gore, Umesh B. Jagtap.
其他作者:
Jagtap, Umesh B.
出版者:
New York, NY :Humana Press, : c2018.,
面頁冊數:
xii, 488 p. :ill. (some col.) ;26 cm.
標題:
Drugs - Laboratory manuals. - Design -
ISBN:
9781493992768
Computational drug discovery and design /
Computational drug discovery and design /
edited by Mohini Gore, Umesh B. Jagtap. - New York, NY :Humana Press,c2018. - xii, 488 p. :ill. (some col.) ;26 cm. - Springer protocols. - Springer protocols..
Includes bibliographical references and index.
Computer-aided drug design : an overview /Alan Talevi --
ISBN: 9781493992768EUR89.99 Subjects--Topical Terms:
3587642
Drugs
--Design--Laboratory manuals.Index Terms--Genre/Form:
3587643
Laboratory Manual.
LC Class. No.: RS420 / .C66 2018
Dewey Class. No.: 615.1/9
Computational drug discovery and design /
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edited by Mohini Gore, Umesh B. Jagtap.
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Computer-aided drug design : an overview /
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Alan Talevi --
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Prediction of human drug targets and their interactions using machine learning methods : current and future perspectives /
$r
Abhigyan Nath, Priyanka Kumari, and Radha Chaube --
$t
Practices in molecular docking and structure-based virtual screening /
$r
Ricardo N. dos Santos, Leonardo G. Ferreira, and Adriano D. Andricopulo --
$t
Phylogenetic and other conservation-based approaches to predict protein functional sites /
$r
Heval Atas, Nurcan Tuncbag, and Tunca Dogan --
$t
De novo design of ligands using computational methods /
$r
Venkatesan Suryanarayanan, Umesh Panwar, Ishwar Chandra, and Sanjeev Kumar Singh --
$t
Molecular dynamics simulation and prediction of druggable binding sites /
$r
Tianhua Feng and Khaled Barakat --
$t
Virtual ligand screening using PL-PatchSurfer2, a molecular surface-based protein-ligand docking method /
$r
Woong-Hee Shin and Daisuke Kihara --
$t
Fragment-based ligand designing /
$r
Shashank P. Katiyar, Vidhi Malik, Anjani Kumari, Kamya Singh, and Durai Sundar --
$t
Molecular dynamics as a tool for virtual ligand screening /
$r
Gregory Menchon, Laurent Maveyraud, and Georges Czaplicki --
$t
Building molecular interaction networks from microarray data for drug target screening /
$r
Sze Chung Yuen, Hongmei Zhu, and Siu-wai Leung --
$t
Absolute alchemical free energy calculations for ligand binding : a beginner's guide /
$r
Matteo Aldeghi, Joseph P. Bluck, and Philip C. Biggin --
$t
Evaluation of protein-ligand docking by cyscore /
$r
Yang Cao, Wentao Dai, and Zhichao Miao --
$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 --
$t
Prediction and optimization of pharmacokinetic and toxicity properties of the ligand /
$r
Douglas E.V. Pires, Lisa M. Kaminskas, and David B. Ascher --
$t
Protein-protein docking in drug design and discovery /
$r
Agnieszka A. Kaczor, Damian Bartuzi, Tomasz Maciej Stepniewski, Dariusz Matosiuk, and Jana Selent --
$t
Automated inference of chemical discriminants of biological activity /
$r
Sebastian Raschka, Anne M. Scott, Mar Huertas, Weiming Li, and Leslie A. Kuhn --
$t
Computational exploration of conformational transitions in protein drug targets /
$r
Benjamin P. Cossins, Alastair D.G. Lawson, and Jiye Shi --
$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 --
$t
Calculation of thermodynamic properties of bound water molecules /
$r
Ying Yang, Amr H.A. Abdallah, and Markus A. Lill --
$t
Enhanced molecular dynamics methods applied to drug design projects /
$r
Sonia Ziada, Abdennour Braka, Julien Diharce, Samia Aci-Seche, and Pascal Bonnet --
$t
AGGRESCAN3D : toward the prediction of the aggregation propensities of protein structures /
$r
Jordi Pujols, Samuel Pena-Diaz, and Salvador Ventura --
$t
Computational analysis of solvent inclusion in docking studies of protein-glycosaminoglycan systems /
$r
Sergey A. Samsonov --
$t
Understanding G protein-coupled receptor allostery via molecular dynamics simulations : implications for drug discovery /
$r
Shaherin Basith, Yoonji Lee, and Sun Choi --
$t
Identification of potential microRNA biomarkers by meta-analysis /
$r
Hongmei Zhu and Siu-wai Leung.
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壽豐校區(SF Campus)
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最近登收卷期:
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