(Q40412571)

20 September 2017

Site-Identification by Ligand Competitive Saturation (SILCS) assisted pharmacophore modeling (English)

1 reference

20 September 2017

Wenbo Yu

1

1 reference

20 September 2017

Sirish Kaushik Lakkaraju

series ordinal

2

1 reference

20 September 2017

E Prabhu Raman

series ordinal

3

1 reference

20 September 2017

Alexander D MacKerell

series ordinal

4

1 reference

20 September 2017

8 March 2014

1 reference

Journal of Computer - Aided Molecular Design

20 September 2017

1 reference

20 September 2017

28

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20 September 2017

5

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20 September 2017

491-507

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-014-9728-0

20 September 2017

0 references

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Inclusion of multiple fragment types in the site identification by ligand competitive saturation (SILCS) approach

22 September 2017

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The novel BH3 α-helix mimetic JY-1-106 induces apoptosis in a subset of cancer cells (lung cancer, colon cancer and mesothelioma) by disrupting Bcl-xL and Mcl-1 protein-protein interactions with Bak

22 September 2017

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22 September 2017

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22 September 2017

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22 September 2017

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22 September 2017

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A Small-Molecule Inhibitor of BCL6 Kills DLBCL Cells In Vitro and In Vivo

22 September 2017

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22 September 2017

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Three-dimensional pharmacophore methods in drug discovery

22 September 2017

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Computational fragment-based binding site identification by ligand competitive saturation

22 September 2017

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22 September 2017

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AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

22 September 2017

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Target flexibility: an emerging consideration in drug discovery and design

22 September 2017

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Identification and validation of human DNA ligase inhibitors using computer-aided drug design

22 September 2017

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22 September 2017

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Prediction of protein-ligand interactions. Docking and scoring: successes and gaps

22 September 2017

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22 September 2017

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Extending the treatment of backbone energetics in protein force fields: limitations of gas-phase quantum mechanics in reproducing protein conformational distributions in molecular dynamics simulations

22 September 2017

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Implications of protein flexibility for drug discovery

22 September 2017

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Design and quantitative structure-activity relationship of 3-amidinobenzyl-1H-indole-2-carboxamides as potent, nonchiral, and selective inhibitors of blood coagulation factor Xa

22 September 2017

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22 September 2017

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Crystal structures of human factor Xa complexed with potent inhibitors

22 September 2017

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22 September 2017

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Discovery of novel, non-peptide HIV-1 protease inhibitors by pharmacophore searching.

22 September 2017

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Receiver-operating characteristic (ROC) plots: a fundamental evaluation tool in clinical medicine.

22 September 2017

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Crystal structures of Escherichia coli and Lactobacillus casei dihydrofolate reductase refined at 1.7 A resolution. I. General features and binding of methotrexate

22 September 2017

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A computational procedure for determining energetically favorable binding sites on biologically important macromolecules

22 September 2017

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22 September 2017

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GRID-based three-dimensional pharmacophores I: FLAPpharm, a novel approach for pharmacophore elucidation

22 September 2017

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Balancing target flexibility and target denaturation in computational fragment-based inhibitor discovery

15 June 2018

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Reproducing crystal binding modes of ligand functional groups using Site-Identification by Ligand Competitive Saturation (SILCS) simulations

15 June 2018

1 reference

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Importance of receptor flexibility in binding of cyclam compounds to the chemokine receptor CXCR4.

15 June 2018

1 reference

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Automated generation of MCSS-derived pharmacophoric DOCK site points for searching multiconformation databases

20 August 2018

1 reference

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From the protein's perspective: the benefits and challenges of protein structure-based pharmacophore modeling

20 August 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-014-9728-0

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-014-9728-0

Merck molecular force field. I. Basis, form, scope, parameterization, and performance of MMFF94

21 January 2018

1 reference

Crossref

https://api.crossref.org/works/10.1007%2FS10822-014-9728-0

10.1007/S10822-014-9728-0

21 January 2018

Identifiers

DOI

1 reference

20 September 2017

journals/jcamd/YuLRM14

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

0 references

1 reference

20 September 2017

PubMed publication ID

24610239

1 reference