(Q34440071)

2 August 2017

Consensus Induced Fit Docking (cIFD): methodology, validation, and application to the discovery of novel Crm1 inhibitors (English)

1 reference

2 August 2017

Ori Kalid

1

1 reference

2 August 2017

Dora Toledo Warshaviak

2

1 reference

2 August 2017

Sharon Shechter

3

1 reference

2 August 2017

Woody Sherman

4

1 reference

2 August 2017

Sharon Shacham

5

1 reference

2 August 2017

30 September 2012

1 reference

Journal of Computer - Aided Molecular Design

2 August 2017

1 reference

2 August 2017

26

1 reference

2 August 2017

11

1 reference

2 August 2017

1217-1228

1 reference

https://scigraph.springernature.com/pub.10.1007/s10822-012-9611-9

2 August 2017

0 references

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21 January 2018

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21 January 2018

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Novel inhibitors of dengue virus methyltransferase: discovery by in vitro-driven virtual screening on a desktop computer grid

21 January 2018

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21 January 2018

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How does a drug molecule find its target binding site?

21 January 2018

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21 January 2018

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Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.

21 January 2018

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Unveiling the full potential of flexible receptor docking using multiple crystallographic structures

21 January 2018

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Ensemble docking into multiple crystallographically derived protein structures: an evaluation based on the statistical analysis of enrichments

21 January 2018

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Consistent improvement of cross-docking results using binding site ensembles generated with elastic network normal modes

21 January 2018

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Representing receptor flexibility in ligand docking through relevant normal modes.

21 January 2018

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Predictive power of molecular dynamics receptor structures in virtual screening

21 January 2018

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Exploring protein flexibility: incorporating structural ensembles from crystal structures and simulation into virtual screening protocols

21 January 2018

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Generation of receptor structural ensembles for virtual screening using binding site shape analysis and clustering

21 January 2018

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Docking ligands into flexible and solvated macromolecules. 2. Development and application of fitted 1.5 to the virtual screening of potential HCV polymerase inhibitors

21 January 2018

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Protein flexibility in ligand docking and virtual screening to protein kinases.

21 January 2018

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G protein coupled receptors -in silico drug discovery and design

21 January 2018

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Novel procedure for modeling ligand/receptor induced fit effects.

21 January 2018

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Leucine-rich nuclear-export signals: born to be weak

21 January 2018

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CRM1-mediated nuclear export of proteins and drug resistance in cancer

21 January 2018

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Identification of nuclear export inhibitors with potent anticancer activity in vivo

21 January 2018

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Ratjadones inhibit nuclear export by blocking CRM1/exportin 1.

21 January 2018

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Ratjadone and leptomycin B block CRM1-dependent nuclear export by identical mechanisms.

21 January 2018

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Anguinomycins and derivatives: total syntheses, modeling, and biological evaluation of the inhibition of nucleocytoplasmic transport

21 January 2018

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A chemical genetic screen identifies inhibitors of regulated nuclear export of a Forkhead transcription factor in PTEN-deficient tumor cells

21 January 2018

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Inhibition of the CRM1-mediated nucleocytoplasmic transport by N-azolylacrylates: structure-activity relationship and mechanism of action

21 January 2018

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CBS9106 is a novel reversible oral CRM1 inhibitor with CRM1 degrading activity

21 January 2018

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Comparison of topological, shape, and docking methods in virtual screening.

21 January 2018

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Structural basis for selective inhibition of cyclooxygenase-2 by anti-inflammatory agents

21 January 2018

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Structural insights into the stereochemistry of the cyclooxygenase reaction

21 January 2018

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The novel benzopyran class of selective cyclooxygenase-2 inhibitors. Part 2: the second clinical candidate having a shorter and favorable human half-life

21 January 2018

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Crystallography and the design of anti-AIDS drugs: conformational flexibility and positional adaptability are important in the design of non-nucleoside HIV-1 reverse transcriptase inhibitors

21 January 2018

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Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 1.

21 January 2018

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Inhibition of p38 MAP kinase by utilizing a novel allosteric binding site

21 January 2018

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Antileukemic activity of nuclear export inhibitors that spare normal hematopoietic cells

21 January 2018

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https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Crystal structure of the nuclear export receptor CRM1 in complex with Snurportin1 and RanGTP

21 January 2018

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Identifying and characterizing binding sites and assessing druggability

21 January 2018

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Extended-connectivity fingerprints

21 January 2018

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Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets

21 January 2018

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Glide: a new approach for rapid, accurate docking and scoring. 1. Method and assessment of docking accuracy

21 January 2018

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Evaluating virtual screening methods: good and bad metrics for the "early recognition" problem.

21 January 2018

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Further development and validation of empirical scoring functions for structure-based binding affinity prediction

21 January 2018

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Rapid shape-based ligand alignment and virtual screening method based on atom/feature-pair similarities and volume overlap scoring

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

1,3-Diaryl-4,5,6,7-tetrahydro-2H-isoindole derivatives: a new series of potent and selective COX-2 inhibitors in which a sulfonyl group is not a structural requisite

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

A tight-binding mode of inhibition is essential for anti-human immunodeficiency virus type 1 virucidal activity of nonnucleoside reverse transcriptase inhibitors

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Synthesis and antiviral activity of 6-benzyl analogs of 1-[(2-hydroxyethoxy)methyl]-6-(phenylthio)thymine (HEPT) as potent and selective anti-HIV-1 agents

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Evolution of anti-HIV drug candidates. Part 2: Diaryltriazine (DATA) analogues

21 January 2018

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Crystal structures for HIV-1 reverse transcriptase in complexes with three pyridinone derivatives: a new class of non-nucleoside inhibitors effective against a broad range of drug-resistant strains

21 January 2018

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https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Novel ligands that function as selective estrogens or antiestrogens for estrogen receptor-alpha or estrogen receptor-beta

21 January 2018

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https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Crystal structure of a mutant hERalpha ligand-binding domain reveals key structural features for the mechanism of partial agonism

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Estrogen receptor ligands. Part 9: Dihydrobenzoxathiin SERAMs with alkyl substituted pyrrolidine side chains and linkers

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

Structure-activity relationships of SERMs optimized for uterine antagonism and ovarian safety.

21 January 2018

1 reference

https://api.crossref.org/works/10.1007%2FS10822-012-9611-9

1,2-Diarylimidazoles as potent, cyclooxygenase-2 selective, and orally active antiinflammatory agents

21 January 2018

1 reference

12 December 2020

Novel method for generating structure-based pharmacophores using energetic analysis

1 reference

12 December 2020

New cyclooxygenase-2/5-lipoxygenase inhibitors. 3. 7-tert-butyl-2, 3-dihydro-3,3-dimethylbenzofuran derivatives as gastrointestinal safe antiinflammatory and analgesic agents: variations at the 5 position

1 reference

12 December 2020

Accommodating protein flexibility in computational drug design

1 reference

12 December 2020

Diarylspiro[2.4]heptenes as orally active, highly selective cyclooxygenase-2 inhibitors: synthesis and structure-activity relationships

1 reference

12 December 2020

Improving database enrichment through ensemble docking

1 reference

12 December 2020

Conformational flexibility of enzyme active sites

1 reference

12 December 2020

New method for fast and accurate binding-site identification and analysis

1 reference

12 December 2020

Use of an induced fit receptor structure in virtual screening

1 reference

12 December 2020

Large-scale systematic analysis of 2D fingerprint methods and parameters to improve virtual screening enrichments

1 reference

12 December 2020

10.1007/S10822-012-9611-9

Identifiers

DOI

1 reference

journals/jcamd/KalidWSSS12

2 August 2017

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference