EDITORIAL
Published on 07 Aug 2020
Editorial: In silico Methods for Drug Design and Discovery
doi 10.3389/fchem.2020.00612
- 53,716 views
- 175 citations
- Frontiers in Chemistry
- Medicinal and Pharmaceutical Chemistry
- Research Topics
- In Silico Methods for Drug Design and Discovery
<i>In Silico</i> Methods for Drug Design and Discovery
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Articles
ORIGINAL RESEARCH
Published on 29 May 2020
In silico Druggability Assessment of the NUDIX Hydrolase Protein Family as a Workflow for Target Prioritization
doi 10.3389/fchem.2020.00443
- 5,314 views
- 18 citations
ORIGINAL RESEARCH
Published on 29 Apr 2020
An Innovative Sequence-to-Structure-Based Approach to Drug Resistance Interpretation and Prediction: The Use of Molecular Interaction Fields to Detect HIV-1 Protease Binding-Site Dissimilarities
doi 10.3389/fchem.2020.00243
- 3,017 views
- 5 citations
REVIEW
Published on 28 Apr 2020
Structure-Based Virtual Screening: From Classical to Artificial Intelligence
doi 10.3389/fchem.2020.00343
- 57,799 views
- 379 citations
ORIGINAL RESEARCH
Published on 23 Apr 2020
Exploring the Use of Compound-Induced Transcriptomic Data Generated From Cell Lines to Predict Compound Activity Toward Molecular Targets
doi 10.3389/fchem.2020.00296
- 6,173 views
- 18 citations
ORIGINAL RESEARCH
Published on 21 Apr 2020
High-Throughput Docking Using Quantum Mechanical Scoring
doi 10.3389/fchem.2020.00246
- 9,292 views
- 37 citations
ORIGINAL RESEARCH
Published on 09 Apr 2020
Integrating Ligand and Target-Driven Based Virtual Screening Approaches With in vitro Human Cell Line Models and Time-Resolved Fluorescence Resonance Energy Transfer Assay to Identify Novel Hit Compounds Against BCL-2
doi 10.3389/fchem.2020.00167
- 4,290 views
- 24 citations
ORIGINAL RESEARCH
Published on 03 Apr 2020
Competition Between Phenothiazines and BH3 Peptide for the Binding Site of the Antiapoptotic BCL-2 Protein
doi 10.3389/fchem.2020.00235
- 3,179 views
- 9 citations
ORIGINAL RESEARCH
Published on 24 Mar 2020
In silico Design of Novel HIV-1 NNRTIs Based on Combined Modeling Studies of Dihydrofuro[3,4-d]pyrimidines
![In silico Design of Novel HIV-1 NNRTIs Based on Combined Modeling Studies of Dihydrofuro[3,4-d]pyrimidines](https://www.frontiersin.org/files/myhome article library/504289/504289_Thumb_400.jpg)
doi 10.3389/fchem.2020.00164
- 4,586 views
- 33 citations
ORIGINAL RESEARCH
Published on 13 Mar 2020
A Definition of “Multitargeticity”: Identifying Potential Multitarget and Selective Ligands Through a Vector Analysis
doi 10.3389/fchem.2020.00176
- 5,329 views
- 16 citations
ORIGINAL RESEARCH
Published on 28 Feb 2020
LigBuilder V3: A Multi-Target de novo Drug Design Approach
doi 10.3389/fchem.2020.00142
- 15,403 views
- 62 citations
ORIGINAL RESEARCH
Published on 27 Feb 2020
Exploring the RNA-Recognition Mechanism Using Supervised Molecular Dynamics (SuMD) Simulations: Toward a Rational Design for Ribonucleic-Targeting Molecules?
doi 10.3389/fchem.2020.00107
- 6,557 views
- 17 citations
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Frontiers in Chemistry
- Medicinal and Pharmaceutical Chemistry
- Theoretical and Computational Chemistry
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