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Protein–ligand docking
Results: 33

#	Item
1	85 CALCULATION OF PROTEINLIGAND BINDING FREE ENERGY USING SMOOTH REACTION PATH GENERATION (SRPG) METHOD; A COMPARISON OF THE EXPLICIT WATER MODEL, GB/SA MODEL AND DOCKING SCORE FUNCTION Add to Reading List Source URL: www.jsbi.org - Date: 2009-12-21 01:58:07
2	Manual for SEED a program for docking molecular fragments into a rigid protein SEED = Solvation Energy for Exhaustive Docking SEED developers Add to Reading List Source URL: www.biochem-caflisch.uzh.ch Language: English - Date: 2013-12-23 03:42:29 Chemistry Biology Nature Bioinformatics Protein structure Molecular modelling Computational chemistry Drug discovery Docking Scattering parameters Ligand Vector
3	Genome Informatics 15(2): 31–Comprehensive Identification of “Druggable” Protein Ligand Binding Sites Add to Reading List Source URL: www.jsbi.org Language: English - Date: 2004-12-16 23:39:31 Chemical bonding Proteins Drug discovery Bioinformatics Cell signaling Docking Drug design Ligand Binding site Druggability Allosteric regulation Protein tertiary structure
4	Application of Linear Response MM-PBSA and QM/MM-GBSA Rescoring for Postprocessing of Protein-Ligand Docking Poses Kanin Wichapong The Cardiovascular Research Institute Maastricht (CARIM), Add to Reading List Source URL: www.int-conf-chem-structures.org Language: English - Date: 2014-07-10 16:41:00
5	Microsoft Word - Figure_3.vsdmip.doc Add to Reading List Source URL: ub.cbm.uam.es Language: English - Date: 2015-05-25 09:53:34 Computational chemistry Drug discovery Bioinformatics Protein structure Docking Drug design Molecular mechanics Virtual screening Ligand Chemistry Science Molecular modelling
6	PROTEINS: Structure, Function, and Bioinformatics 67:606–A New Implicit Solvent Model for Protein–Ligand Docking ´ ngel R. Ortiz* Antonio Morreale, Rube´n Gil-Redondo, and A Bioinformatics Unit, Centro Add to Reading List Source URL: ub.cbm.uam.es Language: English - Date: 2015-05-25 09:53:34
7	Lead‐Finder Software for Drug Discovery Lead‐Finder software is an integrated solution for simulating structure and affinity of protein‐ligand complexes. The software combines automatic Add to Reading List Source URL: www.moltech.ru Language: English - Date: 2011-05-14 03:12:33 Bioinformatics Molecular modelling Drug discovery Cell signaling Protein structure Docking Virtual screening Ligand Protein kinase Biology Chemistry Science
8	ER-flow Application Description Template Application Name: CADDSuite – Docking without ligand generation Application domain: Docking Brief description of application Add to Reading List Source URL: www.erflow.eu Language: English Bioinformatics Drug discovery Molecular modelling Protein structure Computational chemistry Docking UNICORE Ligand Workflow Chemistry Science Biology
9	MoDock: A multi-objective strategy improves the accuracy for molecular docking Add to Reading List Source URL: www.almob.org Language: English Bioinformatics Computational chemistry Protein structure Drug discovery Docking Root-mean-square deviation DOCK Virtual screening Protein–ligand docking Chemistry Science Molecular modelling
10	Microsoft Word - Keystone_2006_Klebansky_Probabalistic_Abstract.doc Add to Reading List Source URL: www.biopredict.com Language: English - Date: 2006-11-28 17:37:12 Biology Drug discovery Medicinal chemistry Cheminformatics Protein structure Docking Virtual screening Markov random field Ligand Chemistry Science Bioinformatics

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