Latest Research in Computational Drug Discovery Methods

33 research papers · 2026 median publication year

Top Research Topics in Computational Drug Discovery Methods

Highest-Cited Papers

  1. A durably colonising engineered native symbiont enables sustained intestinal delivery for metabolic dysfunction and colitis
  2. Adaptive Bayesian transfer learning under compositional generalized linear mixed model for microbiome data analysis
  3. Isolation, genomic characterization, and safety assessment of an O -desmethylangolensin-producing Clostridium beijerinckii strain from Chinese Stinky Tofu
  4. MOLECULAR MECHANISMS OF MORINGA OLEIFERA: REGULATION OF COX-2 AND APOPTOTIC SIGNALING
  5. Gut Microbial Metabolism Inactivates Trifluridine and Drives Loss of Anticancer Efficacy
  6. Lacticaseibacillus rhamnosus -Derived Extracellular Vesicles Alleviate Colitis via PPAR Signaling and the Gut Microbiota–Metabolite Axis
  7. Protective Effects of Fushiming Against Microwave Radiation-Induced Retinal Damage: A Network Pharmacology and Experimental Study
  8. Artificial intelligence-driven identification and mechanistic exploration of synergistic anti-aging compounds from Dengzhan Shengmai formulation
  9. Empagliflozin Targets NF-κB Signaling Through PTGS2 and TLR4 in Polycystic Ovary Syndrome: A Drug Repurposing Study and Molecular Simulation
  10. Extraction Process Optimization, Structural Characteristics and Gut Microbiota Metabolism Regulatory Effect of Suillus luteus Alkali-Extracted Polysaccharide
  11. Near-infrared-activated indocyanine green enhances cisplatin-induced c-Fos-mediated apoptosis in colorectal cancer cells
  12. Gut Microbiome Testing: From Laboratory Methods to Clinical Meaning
  13. Metagenome-scale modeling to assess microbiome metabolic complementarity for precision microbiota transplantation therapies
  14. Hierarchical sparse Bayesian multitask learning for disease prediction in pooled microbiome studies
  15. The Reported Therapeutic Index of Compound 11 is Not Robust to Threshold Uncertainty [Letter]
  16. Network Pharmacology-Based Insights into the Therapeutic Mechanisms of Lawsone for Diabetic Foot Ulcer
  17. EXPLORING THE HEALTH EFFECTS OF DRUG INDUCED GUT MICROBIAL CHANGES: IMPLICATIONS FOR PERSONALISED MEDICINE
  18. Prediction of drug intestinal absorption and drug-induced intestinal toxicity with the use of human crypt-derived intestinal stem cells and their differentiated cells
  19. Network Pharmacology and Molecular Simulation Reveal Potential Targets and Pathways of Vine Tea in Feline Intestinal Inflammation
  20. The Ghost Genome: Mapping a Constrained Chemical Execution Layer of Human Biology
Controls
|||
ALL TIME
JAN
FEB
MAR
APR
MAY
JUN
JUL
AUG
SEP
L3 Region - - 2026 Sep Q3

Computational Drug Discovery Methods

33 papers

Top Topics (10)

Gut microbiota and health10
Computational Drug Discovery Methods2
Clostridium difficile and Clostridium perfringens research2
Phytoestrogen effects and research1
Moringa oleifera research and applications1
Cancer Research and Treatments1
Corneal Surgery and Treatments1
Ovarian function and disorders1
Nanoplatforms for cancer theranostics1
Drug Transport and Resistance Mechanisms1

Top Publications (20)

1.A durably colonising engineered native symbiont enables sustained intestinal delivery for metabolic dysfunction and colitis2.Adaptive Bayesian transfer learning under compositional generalized linear mixed model for microbiome data analysis3.Isolation, genomic characterization, and safety assessment of an O -desmethylangolensin-producing Clostridium beijerinckii strain from Chinese Stinky Tofu4.MOLECULAR MECHANISMS OF MORINGA OLEIFERA: REGULATION OF COX-2 AND APOPTOTIC SIGNALING5.Gut Microbial Metabolism Inactivates Trifluridine and Drives Loss of Anticancer Efficacy6.Lacticaseibacillus rhamnosus -Derived Extracellular Vesicles Alleviate Colitis via PPAR Signaling and the Gut Microbiota–Metabolite Axis7.Protective Effects of Fushiming Against Microwave Radiation-Induced Retinal Damage: A Network Pharmacology and Experimental Study8.Artificial intelligence-driven identification and mechanistic exploration of synergistic anti-aging compounds from Dengzhan Shengmai formulation9.Empagliflozin Targets NF-κB Signaling Through PTGS2 and TLR4 in Polycystic Ovary Syndrome: A Drug Repurposing Study and Molecular Simulation10.Extraction Process Optimization, Structural Characteristics and Gut Microbiota Metabolism Regulatory Effect of Suillus luteus Alkali-Extracted Polysaccharide11.Near-infrared-activated indocyanine green enhances cisplatin-induced c-Fos-mediated apoptosis in colorectal cancer cells12.Gut Microbiome Testing: From Laboratory Methods to Clinical Meaning13.Metagenome-scale modeling to assess microbiome metabolic complementarity for precision microbiota transplantation therapies14.Hierarchical sparse Bayesian multitask learning for disease prediction in pooled microbiome studies15.The Reported Therapeutic Index of Compound 11 is Not Robust to Threshold Uncertainty [Letter]16.Network Pharmacology-Based Insights into the Therapeutic Mechanisms of Lawsone for Diabetic Foot Ulcer17.EXPLORING THE HEALTH EFFECTS OF DRUG INDUCED GUT MICROBIAL CHANGES: IMPLICATIONS FOR PERSONALISED MEDICINE18.Prediction of drug intestinal absorption and drug-induced intestinal toxicity with the use of human crypt-derived intestinal stem cells and their differentiated cells19.Network Pharmacology and Molecular Simulation Reveal Potential Targets and Pathways of Vine Tea in Feline Intestinal Inflammation20.The Ghost Genome: Mapping a Constrained Chemical Execution Layer of Human Biology
AI Navigator

Ask Laika to Summarize, Analyze, and Connect papers live on the map.

Summarize Papers & Methodologies

Extract key findings, datasets, and comparative methods across publications.

Benchmark Rankings & Visual Analytics

Rank top research institutions, authors, funders, topics, and journals by Field-Weighted Citation Impact (FWCI) and paper volume with instant charts.

Connect Distant Disciplines

Bridge topological clusters on the map to find hidden collaborative intersections.