Search Result "virtual screening"


Review Article

VSPrep: A KNIME Workflow for the Preparation of Molecular Databases for Virtual Screening

Journal: Current Medicinal Chemistry
Volume: 27 Issue: 3 Year: 2020 Page: 6480-6494
Author(s): José-Manuel Gally,Stéphane Bourg,Jade Fogha,Quoc-Tuan Do,Samia Aci-Sèche,Pascal Bonnet

Review Article

Positive Predictive Value Surfaces as a Complementary Tool to Assess the Performance of Virtual Screening Methods

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1447-1460
Author(s): Juan F. Morales,Sara Chuguransky,Lucas N. Alberca,Juan I. Alice,Sofía Goicoechea,María E. Ruiz,Carolina L. Bellera,Alan Talevi

Research Article

Virtual Screening for Type II B Inhibitors of B-RafV600E Kinase

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 3 Year: 2020 Page: 222-230
Author(s): Kai-Xiong Qiu,Wen Zhang,Fang Yu,Wei Li,Zhong-Wen Sun,Shu-Qun Zhang,Ya-Juan Chen,Hui-Ding Xie

Research Article

Virtual Screening and In Silico Simulation Analysis for Rapid and Efficient Identification of Novel Natural GPR40 Agonist

Journal: Letters in Drug Design & Discovery
Volume: 17 Issue: 5 Year: 2020 Page: 532-544
Author(s): Virendra Nath,Rohini A.,Vipin Kumar

Research Article

Virtual Screening of Novel Hybrid Non-Steroidal Anti-Inflammatory Drugs (NSAIDs): Exploring Multiple Targeted Cancer Therapy by an In Silico Approach

Journal: Current Cancer Therapy Reviews
Volume: 16 Issue: 1 Year: 2020 Page: 70-77
Author(s): Ashish P. Shah,Chhagan N. Patel

Research Article

Genetic Algorithm-based Feature Selection Approach for Enhancing the Effectiveness of Similarity Searching in Ligand-based Virtual Screening

Journal: Current Bioinformatics
Volume: 15 Issue: 5 Year: 2020 Page: 431-444
Author(s): Fouaz Berrhail,Hacene Belhadef

Review Article

Applications of Quantitative Structure-Activity Relationships (QSAR) based Virtual Screening in Drug Design: A Review

Journal: Mini-Reviews in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1375-1388
Author(s): Patnala Ganga Raju Achary

Research Article

The Research of New Inhibitors of Bacterial Methionine Aminopeptidase by Structure Based Virtual Screening Approach of ZINC DATABASE and In Vitro Validation

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 4 Year: 2020 Page: 389-401
Author(s): Hanane Boucherit,Abdelouahab Chikhi,Abderrahmane Bensegueni,Amina Merzoug,Jean-Michel Bolla

Research Article

Characterization of the Trypanosoma brucei Pteridine Reductase Active- Site using Computational Docking and Virtual Screening Techniques

Journal: Current Computer-Aided Drug Design
Volume: 16 Issue: 5 Year: 2020 Page: 583-598
Author(s): Hina Shamshad,Abdul Hafiz,Ismail I. Althagafi,Maria Saeed,Agha Zeeshan Mirza

Research Article open access plus

Learning the Edit Costs of Graph Edit Distance Applied to Ligand-Based Virtual Screening

Journal: Current Topics in Medicinal Chemistry
Volume: 20 Issue: 1 Year: 2020 Page: 1582-1592
Author(s): Carlos Garcia-Hernandez,Alberto Fernández,Francesc Serratosa

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