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05053aam a2200409 i 4500 001 F8F269AAE96D11E8978F920F97128E48 003 SILO 005 20181116010210 008 171222t20182018nyua b 001 0deng d 010 $a 2018935920 020 $a 9781493977550 020 $a 1493977555 035 $a (OCoLC)1016020670 040 $a YDX $b eng $e rda $c YDX $d GZM $d OCLCO $d NUI $d SILO 245 00 $a Computational drug discovery and design / $c edited by Mohini Gore, Umesh B. Jagtap. 264 1 $a New York, NY : $b Humana Press, $c [2018] 300 $a xii, 488 pages : $b illustrations (some color) ; $c 27 cm. 490 1 $a Methods in molecular biology, $x 1064-3745 ; $v 1762 490 1 $a Springer protocols, $x 1949-2448 504 $a Includes bibliographical references and index. 505 00 $t Identification of potential microRNA biomarkers by meta-analysis / $r Hongmei Zhu and Siu-wai Leung. $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 -- $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. 650 0 $a Drugs $x Design $v Laboratory manuals. 650 7 $a Drugs $x Design. $2 fast $0 (OCoLC)fst00898790 650 2 $a Drug Design. $0 (DNLM)D015195 650 2 $a Drug Discovery. $0 (DNLM)D055808 650 2 $a Molecular Docking Simulation. $0 (DNLM)D062105 655 2 $a Laboratory Manuals. $0 (DNLM)D020484 655 7 $a Laboratory manuals. $2 fast $0 (OCoLC)fst01920776 655 7 $a Laboratory manuals. $2 lcgft 700 1 $a Jagtap, Umesh B., $e editor. 700 1 $a Gore, Mohini, $e editor. 773 18 $w 990001282000202771 $g no:31858068657406 830 0 $a Methods in molecular biology (Clifton, N.J.) ; $v v.1762. $x 1064-3745 830 0 $a Springer protocols (Series), $x 1949-2448 941 $a 1 952 $l OVUX522 $d 20190212023850.0 956 $a http://locator.silo.lib.ia.us/search.cgi?index_0=id&term_0=F8F269AAE96D11E8978F920F97128E48Initiate Another SILO Locator Search