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PubPharm (24)
1
The Impact of Supervised Learning Methods in Ultralarge High-Throughput Docking
enthalten in:
Journal of chemical information and modeling
| 2023
von
Cavasotto, C.
|
Di Filippo, J.
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2
Guided structure-based ligand identification and design via artificial intelligence modeling
enthalten in:
Expert opinion on drug discovery
| 2022
von
Di Filippo, J.
|
Cavasotto, C.
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3
Artificial intelligence in the early stages of drug discovery
enthalten in:
Archives of biochemistry and biophysics
| 2021
von
Cavasotto, C.
|
Di Filippo, J.
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4
Flexi-pharma : a molecule-ranking strategy for virtual screening using pharmacophores from ligand-free conformational ensembles
enthalten in:
Journal of computer-aided molecular design
| 2020
von
Lans, I.
|
Palacio-Rodríguez, K.
|
Cavasotto, C.
| +1
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5
Binding Free Energy Calculation Using Quantum Mechanics Aimed for Drug Lead Optimization
enthalten in:
Methods in molecular biology (Clifton, N.J.)
| 2020
von
Cavasotto, C.
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6
Molecular Docking Using Quantum Mechanical-Based Methods
enthalten in:
Methods in molecular biology (Clifton, N.J.)
| 2020
von
Aucar, M.
|
Cavasotto, C.
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7
Investigating molecular dynamics-guided lead optimization of EGFR inhibitors
enthalten in:
Bioorganic & medicinal chemistry
| 2016
von
Lavecchia, M.
|
Puig de la Bellacasa, R.
|
Borrell, J.
| +1
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8
Expanding the horizons of G protein-coupled receptor structure-based ligand discovery and optimization using homology models
enthalten in:
Chemical communications (Cambridge, England)
| 2015
von
Cavasotto, C.
|
Palomba, D.
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9
X-aptamers : a bead-based selection method for random incorporation of druglike moieties onto next-generation aptamers for enhanced binding
enthalten in:
Biochemistry
| 2012
von
He, W.
|
Elizondo-Riojas, M.
|
Li, X.
| +8
ErratumIn: Biochemistry. 2012 Nov 27;51(47):9592
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10
Ligand and decoy sets for docking to G protein-coupled receptors
enthalten in:
Journal of chemical information and modeling
| 2012
von
Gatica, E.
|
Cavasotto, C.
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1
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Thema: Ligands
Medienart
24
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20
E-Artikel
20
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Zeitschriftentitel
3
Journal of chemical information and modeling
2
Journal of medicinal chemistry
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Journal of molecular graphics & modelling
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Methods in molecular biology (Clifton, N.J.)
1
Archives of biochemistry and biophysics
1
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Chemical communications (Cambridge, England)
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Drug discovery today
1
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1
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1
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1
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1
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1
Molecular endocrinology (Baltimore, Md.)
1
Proteins
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Thema
24
Journal Article
Ligands
11
Research Support, Non-U.S. Gov't
7
Review
4
Pharmaceutical Preparations
4
Proteins
4
Receptors, Cell Surface
4
Receptors, G-Protein-Coupled
4
Research Support, N.I.H., Extramural
2
17885-08-4
2
9009-81-8
2
Computer-aided drug discovery
2
Drug discovery
2
EC 2.7.-
2
Enzyme Inhibitors
2
Molecular docking
2
Phosphoserine
2
Protein Kinase Inhibitors
2
Protein Kinases
2
Quantum mechanics
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Erscheinungszeitraum
6
2020-
6
2010-2019
12
2000-2009
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24
Englisch
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