Gerardo M Casanola-Martin

13PUBLICATIONS
28CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsArtificial life and complex adaptive systemsPhysical properties of materialsMicro- and nanosystemsBioinformatic methods development
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Publications (13)

|Oct 27, 2026
Phytochemical Constituents from Ardisia sylvestris Pitard Leaves: Enzyme Inhibition, Antioxidant, and Antimicrobial Activities with Molecular Simulation Insights.

|Sep 26, 2026
Dry Selection and Wet Evaluation of New 1,2-Disubstituted Nitroindazolin-3-One Derivatives as Promising Agents Against Trypanosoma cruzi.

|Feb 27, 2026
Beyond α-Glucosidase and α-Amylase Inhibition: Integrated In Vitro and Multi-Scale In Silico Insights into the Antidiabetic and Antioxidant Mechanisms of Oxalis corniculata L. Aerial Parts.

Thi-Van-Anh Nguyen, Duong Quang Quy, Nguyen Thanh Tung

|Nov 27, 2024
Similarity Analysis of Computer-Generated and Commercial Libraries for Targeted Biocompatible Coded Amino Acid Replacement.

Markus Meringer, Gerardo M Casanola-Martin, Bakhtiyor Rasulev

|Oct 16, 2024
Prediction of Dielectric Constant in Series of Polymers by Quantitative Structure-Property Relationship (QSPR).

Estefania Ascencio-Medina, Shan He, Amirreza Daghighi

|Jul 18, 2024
Design and evaluation of nanoscale materials with programmed responsivity towards epigenetic enzymes.

Priyanka Ray, Abbas Sedigh, Matthew Confeld

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Frequent Collaborators

12 joint publications

Bakhtiyor Rasulev

5 joint publications

Hai Pham-The

3 joint publications

Humberto González-Díaz

2 joint publications

Le-Quang Bao