Editorial
Published on 23 Feb 2023
Editorial: Fragment-based electronic structure methods for solids
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2023.1165201
- 1,840 views
- 1 citation
45 articles related to "Fragment Based"
Articles
Review
Published on 11 Sep 2015
A Role for Fragment-Based Drug Design in Developing Novel Lead Compounds for Central Nervous System Targets
in Neuropharmacology
Frontiers in Neurology
doi 10.3389/fneur.2015.00197
- 17,647 views
- 27 citations
Review
Published on 05 Aug 2020
Application of Fragment-Based Drug Discovery to Versatile Targets
in Biophysics
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2020.00180
- 81,820 views
- 185 citations
Methods
Published on 18 Feb 2026
Quantum chemical profiling of protein mutations via fragment-based DFT
in Biological Modeling and Simulation
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2026.1770157
- 344 views
Mini Review
Published on 27 Sep 2022
Targeting the ubiquitin system by fragment-based drug discovery
in Cellular Biochemistry
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.1019636
- 7,815 views
- 18 citations
Original Research
Published on 03 Apr 2024
Quantum-assisted fragment-based automated structure generator (QFASG) for small molecule design: an in vitro study
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2024.1382512
- 6,627 views
- 3 citations
Mini Review
Published on 16 Oct 2018
Recent Applications of Diversity-Oriented Synthesis Toward Novel, 3-Dimensional Fragment Collections
in Organic Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2018.00460
- 10,069 views
- 64 citations
Original Research
Published on 22 Dec 2021
Fragment-Based Quantum Mechanical Calculation of Excited-State Properties of Fluorescent RNAs
in Theoretical and Computational Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2021.801062
- 3,408 views
- 5 citations
Original Research
Published on 07 Jul 2022
Implementing a Scoring Function Based on Interaction Fingerprint for Autogrow4: Protein Kinase CK1δ as a Case Study
in Molecular Diagnostics and Therapeutics
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.909499
- 5,993 views
- 27 citations
Review
Published on 18 Feb 2020
In silico Strategies to Support Fragment-to-Lead Optimization in Drug Discovery
in Medicinal and Pharmaceutical Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2020.00093
- 53,070 views
- 212 citations
Methods
Published on 04 Jul 2022
Multi-Objective Drug Design Based on Graph-Fragment Molecular Representation and Deep Evolutionary Learning
in Experimental Pharmacology and Drug Discovery
Frontiers in Pharmacology
doi 10.3389/fphar.2022.920747
- 6,306 views
- 38 citations
Perspective
Published on 16 Aug 2019
Pushing the Ligand Efficiency Metrics: Relative Group Contribution (RGC) Model as a Helpful Strategy to Promote a Fragment “Rescue” Effect
in Medicinal and Pharmaceutical Chemistry
Frontiers in Chemistry
doi 10.3389/fchem.2019.00564
- 4,658 views
- 4 citations
Original Research
Published on 30 May 2022
Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design
in Structural Biology
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.880432
- 4,692 views
- 9 citations
Original Research
Published on 14 Dec 2022
Crystal polymorphism in fragment-based lead discovery of ligands of the catalytic domain of UGGT, the glycoprotein folding quality control checkpoint
in Structural Biology
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.960248
- 3,789 views
- 2 citations
Review
Published on 30 Mar 2022
Using Structure-guided Fragment-Based Drug Discovery to Target Pseudomonas aeruginosa Infections in Cystic Fibrosis
in Structural Biology
Frontiers in Molecular Biosciences
doi 10.3389/fmolb.2022.857000
- 9,748 views
- 8 citations
Original Research
Published on 07 Sep 2016
Fragment-Based Whole Cell Screen Delivers Hits against M. tuberculosis and Non-tuberculous Mycobacteria
in Antimicrobials, Resistance and Chemotherapy
Frontiers in Microbiology
doi 10.3389/fmicb.2016.01392
- 5,499 views
- 25 citations