A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE). (Q43181588)

15 November 2017

A new method for ligand docking to flexible receptors by dual alanine scanning and refinement (SCARE). (English)

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15 November 2017

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2

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15 November 2017

4

Ruben Abagyan

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author name string

Giovanni Bottegoni

series ordinal

1

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PMCID

2641994

15 November 2017

Maxim Totrov

series ordinal

3

1 reference

15 November 2017

14 February 2008

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Journal of Computer - Aided Molecular Design

15 November 2017

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15 November 2017

22

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15 November 2017

5

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15 November 2017

311-325

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https://scigraph.springernature.com/pub.10.1007/s10822-008-9188-5

15 November 2017

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Novel procedure for modeling ligand/receptor induced fit effects.

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CAPRI rounds 3-5 reveal promising successes and future challenges for RosettaDock

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Side-chain flexibility in protein-ligand binding: the minimal rotation hypothesis

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Flexible docking in solution using metadynamics

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Docking and scoring in virtual screening for drug discovery: methods and applications

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Cholesterol depletion suppresses the translational diffusion of class II major histocompatibility complex proteins in the plasma membrane

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Comparative study of several algorithms for flexible ligand docking

25 May 2018

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Implications of protein flexibility for drug discovery

25 May 2018

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Principles of docking: An overview of search algorithms and a guide to scoring functions

25 May 2018

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FlexE: efficient molecular docking considering protein structure variations.

25 May 2018

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Flexible protein-ligand docking by global energy optimization in internal coordinates.

25 May 2018

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Molecular docking to ensembles of protein structures

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FLIPDock: docking flexible ligands into flexible receptors.

25 May 2018

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Diverse, high-quality test set for the validation of protein-ligand docking performance.

15 August 2018

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ROSETTALIGAND: protein-small molecule docking with full side-chain flexibility.

15 August 2018

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Representing receptor flexibility in ligand docking through relevant normal modes.

15 August 2018

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15 August 2018

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Accurate and efficient generalized born model based on solvent accessibility: derivation and application for LogP octanol/water prediction and flexible peptide docking

15 August 2018

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The relaxed complex method: Accommodating receptor flexibility for drug design with an improved scoring scheme

15 August 2018

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Computational drug design accommodating receptor flexibility: the relaxed complex scheme

15 August 2018

1 reference

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Automated docking to multiple target structures: incorporation of protein mobility and structural water heterogeneity in AutoDock

15 August 2018

1 reference

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Ligand docking to proteins with discrete side-chain flexibility.

15 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2641994

Recognition of distantly related proteins through energy calculations

15 August 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18273556

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

A method to configure protein side-chains from the main-chain trace in homology modelling

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18273556

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Principles of docking: An overview of search algorithms and a guide to scoring functions

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/18273556

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1007/S10822-008-9188-5

1 reference

journals/jcamd/BottegoniKTA08

15 November 2017

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

15 November 2017

1 reference

PMCID

2641994