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Takeda taps Schrödinger for drug discovery
American Chemical Society | 2017Keywords: computational drug discovery -
Ensemble-based docking: From hit discovery to metabolism and toxicity predictions
Elsevier | 2016|Keywords: Computational drug discovery -
In silico methods and tools for drug discovery
Elsevier | 2021|Keywords: Computational drug discovery -
Explainability and white box in drug discovery
Wiley | 2023|Keywords: computational drug discovery -
A review on computer‐aided chemogenomics and drug repositioning for rational COVID‐19 drug discovery
Wiley | 2022|Keywords: computational drug discovery -
The slow but steady rise of binding free energy calculations in drug discovery
Online Contents | 2022|Keywords: Computational drug discovery -
QEX: target-specific druglikeness filter enhances ligand-based virtual screening
Free accessOnline Contents | 2018|Keywords: Computational drug discovery -
Virtual screening of specific chemical compounds by exploring E.coli $ NAD^{+} $-dependent DNA ligase as a target for antibacterial drug discovery
Online Contents | 2010|Keywords: Computational drug discovery -
Artificial intelligence and machine learning in clinical pharmacological research
Taylor & Francis Verlag | 2024|Keywords: computational drug discovery -
A Review on Parallel Virtual Screening Softwares for High-Performance Computers
Free accessBASE | 2022|Keywords: computational drug discovery -
Virtual screening of specific chemical compounds by exploring E.coli $ NAD^{+} $-dependent DNA ligase as a target for antibacterial drug discovery
Online Contents | 2010|Keywords: Computational drug discovery -
Computational Prediction of Potential Inhibitors of the Main Protease of SARS-CoV-2
Free accessBASE | 2020|Keywords: computational drug discovery -
Identifying repurposed drugs as potential inhibitors of Apolipoprotein E: A bioinformatics approach to target complex diseases associated with lipid metabolism and neurodegeneration
Elsevier | 2023|Keywords: Computational drug discovery -
Computational Prediction of Potential Inhibitors of the Main Protease of SARS-CoV-2
Free accessDOAJ | 2020|Keywords: computational drug discovery -
A Pilot Study of All-Computational Drug Design Protocol–From Structure Prediction to Interaction Analysis
Free accessDOAJ | 2020|Keywords: computational drug discovery -
Recent Perspectives on Genome, Transmission, Clinical Manifestation, Diagnosis, Therapeutic Strategies, Vaccine Developments, and Challenges of Zika Virus Research
Free accessDOAJ | 2017|Keywords: computational drug discovery -
Identification of Potential Binders of Mtb Universal Stress Protein (Rv1636) Through an in silico Approach and Insights Into Compound Selection for Experimental Validation
Free accessDOAJ | 2021|Keywords: computational drug discovery -
Role of molecular dynamics in optimising ligand discovery: Case study with novel inhibitor search for peptidyl t-RNA hydrolase
Free accessDOAJ | 2021|Keywords: Computational drug discovery -
Three-Dimensional (3D) Pharmacophore Modelling-Based Drug Designing by Computational Technique
Springer Verlag | 2018|Keywords: Computational drug discovery -
A Molecular Docking Study of Human STEAP2 for the Discovery of New Potential Anti-Prostate Cancer Chemotherapeutic Candidates
Free accessDOAJ | 2022|Keywords: computational drug discovery
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