Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo

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Large-scale analysis of water stability in bromodomain binding pockets with grand canonical Monte Carlo

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wetenschappelijk artikel

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наукова стаття, опублікована у квітні 2018

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Large-scale analysis of water ...... th grand canonical Monte Carlo

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Large-scale analysis of water ...... th grand canonical Monte Carlo

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Large-scale analysis of water ...... th grand canonical Monte Carlo

@en

Large-scale analysis of water ...... th grand canonical Monte Carlo

@nl

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Large-scale analysis of water ...... th grand canonical Monte Carlo

@en

Large-scale analysis of water ...... th grand canonical Monte Carlo

@nl

P1476

Large-scale analysis of water ...... th grand canonical Monte Carlo

@en

P2093

Gregory A Ross

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Jonathan W Essex

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Matteo Aldeghi

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Michael J Bodkin

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Stefan Knapp

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P2860

Selective inhibition of BET bromodomains

Histone recognition and large-scale structural analysis of the human bromodomain family

Rational approaches to improving selectivity in drug design

A Subset of Human Bromodomains Recognizes Butyryllysine and Crotonyllysine Histone Peptide Modifications

Differential Water Thermodynamics Determine PI3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications

Twenty Crystal Structures of Bromodomain and PHD Finger Containing Protein 1 (BRPF1)/Ligand Complexes Reveal Conserved Binding Motifs and Rare Interactions

Diving into the Water: Inducible Binding Conformations for BRD4, TAF1(2), BRD9, and CECR2 Bromodomains

Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis

The role of water in sequence-independent ligand binding by an oligopeptide transporter protein

WHAT IF: a molecular modeling and drug design program

P31

scholarly article

P356

10.1038/S42004-018-0019-X

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English

P433

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P478

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P50

Philip C Biggin

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2018-04-05T00:00:00Z

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P698

29863194

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P921

binding pocket

P932

5978690

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