molecular modeling

Publicação

Synthesis, antiviral activity and molecular modeling of oxoquinoline derivatives

Conformational analysis of phloroglucinols from Hipericum brasiliense by using X-ray diffraction and molecular modeling

Conformational analysis of a quinolonic ribonucleoside with anti-HSV-1 activity

Structural evaluation of three 2-phenylpyrazolo[4,3-c]quinolin-3-one monohydrates

Solution and solid-state spectroscopic characterization of chloro dimethylsulfoxide polythioether ruthenium(II) complexes, complemented with DFT calculations in the gas phase

Nonclassic Metallointercalators with Dipyridophenazine: DNA Interaction Studies and Leishmanicidal Activity

Molecular Modeling of a Phenyl-Amidine Class of NMDA Receptor Antagonists and the Rational Design of New Triazolyl-Amidine Derivatives

In Vitro-In Vivo Correlation of Efavirenz Tablets Using GastroPlus®

3-Ishwarone, a Rare Ishwarane Sesquiterpene from Peperomia scandens Ruiz

Genetic and Structural Analysis of Merkel Cell Polyomavirus Large T Antigen from Diverse Biological Samples

Effect of 9-hydroxy-a- and 7-hydroxy-pyran Naphthoquinones on Trypanosoma cruzi and Structure-activity Relationship Studies

Docking of anti-HIV-1 Oxoquinoline-Acylhydrazone Derivatives as Potential HSV-1 DNA Polymerase Inhibitors

Complexes of fluconazole with sodium p-sulfonatocalix[n]arenes: characterization, solubility and antifungal activity

Molecular modeling of benzimidazole derivatives: a promising series of GluN2B selective NMDA receptor antagonists

Molecular Modeling and In Vitro Studies of a Neutral Oxime as a Potential Reactivator for Acetylcholinesterase Inhibited by Paraoxon

Encrypted antimicrobial and antitumoral peptides recovered from a protein-rich soybean (Glycine max) by-product

The mechanism for H2S scavenging by 1,3,5-hexahydrotriazines explored by DFT

The mechanism for H2S scavenging by 1,3,5-hexahydrotriazines explored by DFT

Targeting Chikungunya virus by computational approaches: from viral biology to the development of therapeutic strategies

Mechanism of resistance to acyclovir in thymidine kinase mutants from Herpes simplex virus type 1: a computational approach