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in silico design
Recently Published Documents
TOTAL DOCUMENTS
416
(FIVE YEARS 174)
H-INDEX
32
(FIVE YEARS 7)
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Latest Documents
Most Cited Documents
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In silico design and in vitro assessment of anti-Helicobacter pylori compounds as potential small-molecule arginase inhibitors
Molecular Diversity
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10.1007/s11030-021-10371-8
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2022
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Author(s):
Ana Thereza Fiori-Duarte
◽
João Paulo de Oliveira Guarnieri
◽
Jessica Rodrigues Pereira de Oliveira Borlot
◽
Marcelo Lancellotti
◽
Ricardo Pereira Rodrigues
◽
...
Keyword(s):
Helicobacter Pylori
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Small Molecule
◽
In Silico
◽
In Silico Design
◽
In Vitro Assessment
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Arginase Inhibitors
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In silico Design and Characterization of Multi-epitopes Vaccine for SARS-CoV2 from Its Spike Protein
International Journal of Peptide Research and Therapeutics
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10.1007/s10989-021-10348-z
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2022
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Vol 28
(1)
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Author(s):
Gunderao H. Kathwate
Keyword(s):
In Silico
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Spike Protein
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In Silico Design
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Serotonin transporter: recent progress of in silico ligand prediction methods and structural biology towards structure-guided in silico design of therapeutic agents
Journal of Pharmacological Sciences
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10.1016/j.jphs.2022.01.004
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2022
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Author(s):
Kazuki Nagayasu
Keyword(s):
Structural Biology
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Serotonin Transporter
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In Silico
◽
Recent Progress
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Therapeutic Agents
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Prediction Methods
◽
In Silico Design
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Predicting Spontaneous Orientational Self-Assembly: In Silico Design of Materials with Quantum Mechanically Derived Force Fields
The Journal of Physical Chemistry Letters
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10.1021/acs.jpclett.1c03517
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2021
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pp. 243-250
Author(s):
Giacomo Prampolini
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Leandro Greff da Silveira
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J. G. Vilhena
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Paolo Roberto Livotto
Keyword(s):
Self Assembly
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In Silico
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Force Fields
◽
In Silico Design
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In Silico Design of Recombinant T Peptide Epitope Vaccines for
Vaccine Design - Methods in Molecular Biology
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10.1007/978-1-0716-1884-4_24
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2021
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pp. 463-480
Author(s):
Amanda Sanchez Machado
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Vivian Tamietti Martins
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Maria Victoria Humbert
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Myron Christodoulides
◽
Eduardo Antonio Ferraz Coelho
Keyword(s):
In Silico
◽
Peptide Epitope
◽
In Silico Design
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Epitope Vaccines
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One Decade of Computational Studies on Single-Atom Alloys: Is In Silico Design within Reach?
Accounts of Chemical Research
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10.1021/acs.accounts.1c00611
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2021
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Author(s):
Romain Réocreux
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Michail Stamatakis
Keyword(s):
In Silico
◽
Single Atom
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Computational Studies
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In Silico Design
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Single Atom Alloys
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In-Silico Design of a Novel Tridecapeptide Targeting Spike Protein of SARS-CoV-2 Variants of Concern
International Journal of Peptide Research and Therapeutics
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10.1007/s10989-021-10339-0
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2021
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Vol 28
(1)
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Author(s):
Sajjan Rajpoot
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Kundan Solanki
◽
Ashutosh Kumar
◽
Kam Y. J. Zhang
◽
Soni Savai Pullamsetti
◽
...
Keyword(s):
In Silico
◽
Spike Protein
◽
In Silico Design
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In Silico Design and Selection of CD44 Antagonists
10.33612/diss.193912062
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2021
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Author(s):
◽
Angel Ruiz Moreno
Keyword(s):
In Silico
◽
In Silico Design
◽
Selection Of
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In silico design of novel PIN1 inhibitors by combined of 3D-QSAR, molecular docking, molecular dynamic simulation and ADMET studies
Journal of Molecular Structure
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10.1016/j.molstruc.2021.132291
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2021
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pp. 132291
Author(s):
Kamal TABTI
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Larbi ElMCHICHI
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Abdelouahid SBAI
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Hamid MAGHAT
◽
Mohammed BOUACHRINE
◽
...
Keyword(s):
Molecular Docking
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Molecular Dynamic Simulation
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Molecular Dynamic
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Dynamic Simulation
◽
In Silico
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3D Qsar
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In Silico Design
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In-silico design and ADMET predictions of some new imidazo[1,2-a]pyridine-3-carboxamides (IPAs) as anti-tubercular agents
Journal of Clinical Tuberculosis and Other Mycobacterial Diseases
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10.1016/j.jctube.2021.100276
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2021
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Vol 25
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pp. 100276
Author(s):
Mustapha Abdullahi
◽
Niloy Das
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Shola Elijah Adeniji
◽
Alhassan Kabiru Usman
◽
Ahmad Muhammad Sani
Keyword(s):
In Silico
◽
In Silico Design
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