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Molecular Informatics
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September 21, 2016
A Simple and Resource-efficient Setup for the Computer-aided Drug Design Laboratory
Loris Moretti, Luca Sartori
Molecular Informatics
|
October 28, 2021
Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora
Luminita Crisan, Ana Borota, Alina Bora, et al.
Molecular Informatics
|
January 24, 2022
New QSPRs for Liquid Heat Capacity
Joseph Bloxham, Daniel Hill, Neil F Giles, et al.
Molecular Informatics
|
September 29, 2021
Prediction of Reaction Yield for Buchwald-Hartwig Cross-coupling Reactions Using Deep Learning
Akinori Sato, Tomoyuki Miyao, Kimito Funatsu
Molecular Informatics
|
July 24, 2022
Critical Assessment of State-of-the-Art Ligand-Based Virtual Screening Methods
Simone Sciabola, Rubben Torella, Asako Nagata, et al.
Molecular Informatics
|
February 28, 2022
Discovery of Potent and Isoform-selective Histone Deacetylase Inhibitors Using Structure-based Virtual Screening and Biological Evaluation
Zhe Peng, Quanfeng Zhao, Xiaoyan Tian, et al.
Molecular Informatics
|
December 5, 2023
Predicting the bandgap and efficiency of perovskite solar cells using machine learning methods
Asad Khan, Jeevan Kandel, Hilal Tayara, et al.
Molecular Informatics
|
August 17, 2023
A multi-tier computational screening framework to effectively search the mutational space of SARS-CoV-2 receptor binding motif to identify mutants with enhanced ACE2 binding abilities
Sandipan Chakraborty, Chiranjeet Saha
Molecular Informatics
|
August 17, 2023
Development of novel ligands against SARS-CoV-2 M<sup>pro</sup> enzyme: an in silico and in vitro Study
Navid Kaboudi, Nadine Krüger, Maryam Hamzeh-Mivehroud
Molecular Informatics
|
July 25, 2023
Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equation
Dmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Page
of 108
Search research articles
Search
Showing results (31-40 of 1,072) with videos related to
Sort By:
Page
of 108
Molecular Informatics
|
September 21, 2016
A Simple and Resource-efficient Setup for the Computer-aided Drug Design Laboratory
Loris Moretti, Luca Sartori
Molecular Informatics
|
October 28, 2021
Application of Molecular Docking, Homology Modeling, and Chemometric Approaches to Neonicotinoid Toxicity against Aphis craccivora
Luminita Crisan, Ana Borota, Alina Bora, et al.
Molecular Informatics
|
January 24, 2022
New QSPRs for Liquid Heat Capacity
Joseph Bloxham, Daniel Hill, Neil F Giles, et al.
Molecular Informatics
|
September 29, 2021
Prediction of Reaction Yield for Buchwald-Hartwig Cross-coupling Reactions Using Deep Learning
Akinori Sato, Tomoyuki Miyao, Kimito Funatsu
Molecular Informatics
|
July 24, 2022
Critical Assessment of State-of-the-Art Ligand-Based Virtual Screening Methods
Simone Sciabola, Rubben Torella, Asako Nagata, et al.
Molecular Informatics
|
February 28, 2022
Discovery of Potent and Isoform-selective Histone Deacetylase Inhibitors Using Structure-based Virtual Screening and Biological Evaluation
Zhe Peng, Quanfeng Zhao, Xiaoyan Tian, et al.
Molecular Informatics
|
December 5, 2023
Predicting the bandgap and efficiency of perovskite solar cells using machine learning methods
Asad Khan, Jeevan Kandel, Hilal Tayara, et al.
Molecular Informatics
|
August 17, 2023
A multi-tier computational screening framework to effectively search the mutational space of SARS-CoV-2 receptor binding motif to identify mutants with enhanced ACE2 binding abilities
Sandipan Chakraborty, Chiranjeet Saha
Molecular Informatics
|
August 17, 2023
Development of novel ligands against SARS-CoV-2 M<sup>pro</sup> enzyme: an in silico and in vitro Study
Navid Kaboudi, Nadine Krüger, Maryam Hamzeh-Mivehroud
Molecular Informatics
|
July 25, 2023
Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equation
Dmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Page
of 108