GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions.The application of molecular topology for ulcerative colitis drug discovery.

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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2016 nî lūn-bûn

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2016 թվականին հրատարակված գիտական հոդված

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2016年の論文

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2016年論文

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2016年論文

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2016年論文

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2016年論文

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2016年論文

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2016年论文

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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P1476

GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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P2093

David M Koppelman

http://www.w3.org/2001/XMLSchema#string

J Ramanujam

http://www.w3.org/2001/XMLSchema#string

Mark Jarrell

http://www.w3.org/2001/XMLSchema#string

Wei P Feinstein

http://www.w3.org/2001/XMLSchema#string

Ye Fang

http://www.w3.org/2001/XMLSchema#string

Yun Ding

http://www.w3.org/2001/XMLSchema#string

P2860

The Protein Data Bank

Flexible ligand docking to multiple receptor conformations: a practical alternative

Structure-based virtual screening for drug discovery: a problem-centric review

The structural basis for substrate-induced changes in redox potential and spin equilibrium in cytochrome P-450CAM

Peptide ligands of pp60(c-src) SH2 domains: a thermodynamic and structural study

Structures of class pi glutathione S-transferase from human placenta in complex with substrate, transition-state analogue and inhibitor

AutoDock Vina: Improving the speed and accuracy of docking with a new scoring function, efficient optimization, and multithreading

Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pockets

A knowledge-based approach in designing combinatorial or medicinal chemistry libraries for drug discovery. 1. A qualitative and quantitative characterization of known drug databases

HHblits: lightning-fast iterative protein sequence searching by HMM-HMM alignment

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e0158898

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scholarly article

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4540050

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10.1371/JOURNAL.PONE.0158898

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English

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http://www.w3.org/2001/XMLSchema#string

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http://www.w3.org/2001/XMLSchema#string

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Juana Moreno

Michal Brylinski

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2016-01-01T00:00:00Z

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27420300

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4946785

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GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

about

P2860

P2860

GeauxDock: Accelerating Structure-Based Virtual Screening with Heterogeneous Computing

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P1433

P1476

P2093

P2860

P304

P31

P3181

P356

P407

P433

P478

P50

P577

P698

P932

P3181

P356

P1433

P1476

P2093

P2860

P304

P31

P3181

P356

P407

P433

P478

P50

P577

P698

P932