日期:
2020 年 — 2026 年
2020
2021
2022
2023
2024
2025
2026
影响因子:

In Silico Antiprotozoal Evaluation of 1,4-Naphthoquinone Derivatives against Chagas and Leishmaniasis Diseases Using QSAR, Molecular Docking, and ADME Approaches

利用QSAR、分子对接和ADME方法对1,4-萘醌衍生物抗恰加斯病和利什曼病进行计算机模拟抗原虫活性评价

Prieto Cárdenas, Lina S; Arias Soler, Karen A; Nossa González, Diana L; Rozo Núñez, Wilson E; Cárdenas-Chaparro, Agobardo; Duchowicz, Pablo R; Gómez Castaño, Jovanny A

QSAR studies of the antioxidant activity of anthocyanins

花青素抗氧化活性的QSAR研究

Duchowicz, Pablo R; Szewczuk, Nicolás A; Pomilio, Alicia B

Linear Regression QSAR Models for Polo-Like Kinase-1 Inhibitors

Polo样激酶-1抑制剂的线性回归QSAR模型

Duchowicz, Pablo R

Conformation-Independent QSPR Approach for the Soil Sorption Coefficient of Heterogeneous Compounds

无需构象的QSPR方法测定非均相化合物的土壤吸附系数

Aranda, José F; Garro Martinez, Juan C; Castro, Eduardo A; Duchowicz, Pablo R

QSAR study and molecular design of open-chain enaminones as anticonvulsant agents

开链烯胺酮类化合物作为抗惊厥药物的QSAR研究和分子设计

Garro Martinez, Juan C; Duchowicz, Pablo R; Estrada, Mario R; Zamarbide, Graciela N; Castro, Eduardo A

QSPR studies on aqueous solubilities of drug-like compounds

利用定量构效关系(QSPR)研究类药化合物的水溶性

Duchowicz, Pablo R; Castro, Eduardo A

QSPR calculation of normal boiling points of organic molecules based on the use of correlation weighting of atomic orbitals with extended connectivity of zero- and first-order graphs of atomic orbitals

基于原子轨道相关加权和原子轨道零级和一级图扩展连通性的有机分子正常沸点QSPR计算

González, Maykel Pérez; Toropov, Andrey A; Duchowicz, Pablo R; Castro, Eduardo A

An improved QSPR modeling of hydrocarbon dipole moments

改进的碳氢化合物偶极矩QSPR模型

Nesterov, Igor V; Toropov, Andrey A; Duchowicz, Pablo R; Castro, Eduardo A

The conformation of serum albumin in solution: a combined phosphorescence depolarization-hydrodynamic modeling study

血清白蛋白在溶液中的构象:磷光去极化-流体动力学联合建模研究

Ferrer, M L; Duchowicz, R; Carrasco, B; de la Torre, J G; Acuña, A U