High throughput docking for library design and library prioritization (Q30984706)

28 June 2017

title

High throughput docking for library design and library prioritization (English)

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28 June 2017

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Diller DJ

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28 June 2017

Merz KM Jr

series ordinal

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28 June 2017

language of work or name

English

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publication date

1 May 2001

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28 June 2017

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28 June 2017

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28 June 2017

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28 June 2017

page(s)

113-124

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Efficacy and selectivity in flexible database docking.

28 June 2017

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A comparison of heuristic search algorithms for molecular docking.

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Flexible docking using Tabu search and an empirical estimate of binding affinity.

21 January 2018

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A fast flexible docking method using an incremental construction algorithm.

21 January 2018

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Docking of hydrophobic ligands with interaction-based matching algorithms

21 January 2018

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Hammerhead: fast, fully automated docking of flexible ligands to protein binding sites.

21 January 2018

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21 January 2018

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Accessible surface areas as a measure of the thermodynamic parameters of hydration of peptides

21 January 2018

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21 January 2018

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Molecular recognition of the inhibitor AG-1343 by HIV-1 protease: conformationally flexible docking by evolutionary programming

21 January 2018

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Evaluation of the FLEXX incremental construction algorithm for protein-ligand docking

21 January 2018

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Crystal structures of HIV-2 protease in complex with inhibitors containing the hydroxyethylamine dipeptide isostere

21 January 2018

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Molecular structure at 1.8 A of mouse liver class pi glutathione S-transferase complexed with S-(p-nitrobenzyl)glutathione and other inhibitors

21 January 2018

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21 January 2018

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Identification of potent inhibitors of Plasmodium falciparum plasmepsin II from an encoded statine combinatorial library

21 January 2018

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Crystal structure of the novel aspartic proteinase zymogen proplasmepsin II from plasmodium falciparum

21 January 2018

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A general and fast scoring function for protein-ligand interactions: a simplified potential approach.

21 January 2018

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Evaluation of PMF scoring in docking weak ligands to the FK506 binding protein

21 January 2018

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Semianalytical treatment of solvation for molecular mechanics and dynamics

21 January 2018

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LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads

21 January 2018

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Effect of Conformational Flexibility and Solvation on Receptor-Ligand Binding Free Energies

21 January 2018

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10.1002/1097-0134(20010501)43:2<113::AID-PROT1023>3.0.CO;2-T

21 January 2018

Identifiers

DOI

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28 June 2017

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