Structure-based discovery of small molecule APC-Asef interaction inhibitors: In silico approaches and molecular dynamics simulations

by Jadav, Surender Singh, Macalino, Stephani Joy Y., Alluri, Ramesh
Published 2020

Expediting the design, discovery and development of anticancer drugs using computational approaches

by Basith, Shaherin, Cui, Minghua, Macalino, Stephani Joy Y., Choi, Sun
Published 2017

Role of computer-aided drug design in modern drug discovery

by Macalino, Stephani Joy Y., Gosu, Vijayakumar, Hong, Sunhye, Choi, Sun
Published 2015

In silico strategies in tuberculosis drug discovery

by Macalino, Stephani Joy Y., Billones, Junie B., Organo, Voltaire G., Carrillo, Maria Constancia O.
Published 2020

Computer-aided screening for potential inhibitory compounds against a Klebsiella pneumoniae local isolate containing SHV-1 and CTX-M antibiotic resistance genes

by Castro, Anna, Sy, Jamie Bernadette, Macalino, Stephani Joy Y., Morales, Nadia, Abid, Princess Alyssa, Billones, Junie, Carrillo, Maria Constancia
Published 2021

Roles of virtual screening and molecular dynamics simulations in discovering and understanding antimalarial drugs

by Duay, Searle Aichelle S., Yap, Rianne Casey Y., Gaitano, Arturo L., II, Santos, June Alexis A., Macalino, Stephani Joy Y.
Published 2023

Virtual screening against mycobacterium tuberculosis lipoate protein ligase B (MtbLipB) and in silico ADMET evaluation of top hits

by Billones, Junie B., Carrillo, Maria Constancia O., Organo, Voltaire G., Macalino, Stephani Joy Y., Emnacen, Inno A., Sy, Jamie Bernadette A.
Published 2013

Virtual screening against M. tuberculosis 7,8-diaminopelargonic acid synthase (MtbBioA) and in silico toxicity evaluation of top hits

by Billones, Junie B., Carrillo, Maria Constancia O., Organo, Voltaire G., Macalino, Stephani Joy Y., Emnacen, Inno A., Sy, Jamie Bernadette A.
Published 2014

Toward antituberculosis drugs: In silico screening of synthetic compounds against Mycobacterium tuberculosis L,D-transpeptidase 2

by Billones, Junie B., Carrillo, Maria Constancia O., Organo, Voltaire G., Macalino, Stephani Joy Y., Sy, Jamie Bernadette A., Emnacen, Inno A., Clavio, Nina Abigail B., Concepcion, Gisela P.
Published 2016

In silico discovery and in vitro activity of inhibitors against mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase (Mtb BioA)

by Billones, Junie B., Carrillo, Maria Constancia O., Organo, Voltaire G., Sy, Jamie Bernadette A., Clavio, Nina Abigail B., Macalino, Stephani Joy Y., Emnacen, Inno A., Lee, Alexandra P., Ko, Paul Kenny L., Concepcion, Gisela P.
Published 2017

Structural and biochemical characterization of the curcumin-reducing activity of CurA from Vibrio vulnificus

by Park, Soo-Bong, Bae, Da-Woon, Clavio, Nina Abigail B., Zhao, Lei, Jeong, Chang-Sook, Choi, Bo Mee, Macalino, Stephani Joy Y., Cha, Hee-Jeong, Park, Jin-Byung, Lee, Jun Hyuck, Nam, Sang-Jip, Choi, Sun, Kim, Min-Kyu, Cha, Sun-Shin
Published 2018