| Role of computer-aided drug design in modern drug discovery SJY Macalino, V Gosu, S Hong, S Choi Archives of pharmacal research 38, 1686-1701, 2015 | 712 | 2015 |
| Exploring G Protein-Coupled Receptors (GPCRs) Ligand Space via Cheminformatics Approaches: Impact on Rational Drug Design S Basith, M Cui, SJY Macalino, J Park, NAB Clavio, S Kang, S Choi Frontiers in Pharmacology 9, 128, 2018 | 179 | 2018 |
| Evolution of In Silico Strategies for Protein-Protein Interaction Drug Discovery SJY Macalino, S Basith, NAB Clavio, H Chang, S Kang, S Choi Molecules 23 (8), 2018 | 111 | 2018 |
| In Silico Strategies in Tuberculosis Drug Discovery SJY Macalino, JB Billones, VG Organo, MCO Carrillo Molecules 25 (3), 665, 2020 | 63 | 2020 |
| Transmembrane 4 L six family member 5 senses arginine for mTORC1 signaling JW Jung, SJY Macalino, M Cui, JE Kim, HJ Kim, DG Song, SH Nam, ... Cell Metabolism 29 (6), 1306-1319. e7, 2019 | 57 | 2019 |
| Expediting the design, discovery and development of anticancer drugs using computational approaches S Basith, M Cui, SJY Macalino, S Choi Current medicinal chemistry 24 (42), 4753-4778, 2017 | 41 | 2017 |
| Importance of protein dynamics in the structure-based drug discovery of class AG protein-coupled receptors (GPCRs) Y Lee, R Lazim, SJY Macalino, S Choi Current opinion in structural biology 55, 147-153, 2019 | 40 | 2019 |
| Toward antituberculosis drugs: in silico screening of synthetic compounds against Mycobacterium tuberculosisl,d-transpeptidase 2 JB Billones, MCO Carrillo, VG Organo, SJY Macalino, JBA Sy, ... Drug design, development and therapy, 1147-1157, 2016 | 34 | 2016 |
| In silico discovery and in vitro activity of inhibitors against Mycobacterium tuberculosis 7,8-diaminopelargonic acid synthase (Mtb BioA) JB Billones, MCO Carrillo, VG Organo, JBA Sy, NAB Clavio, SJY Macalino, ... Drug design, development and therapy, 563-574, 2017 | 23 | 2017 |
| Discovery of conformationally restricted human glutaminyl cyclase inhibitors as potent anti-Alzheimer’s agents by structure-based design VH Hoang, VTH Ngo, M Cui, NV Manh, PT Tran, J Ann, HJ Ha, H Kim, ... Journal of medicinal chemistry 62 (17), 8011-8027, 2019 | 18 | 2019 |
| Structural and Biochemical Characterization of the Curcumin-Reducing Activity of CurA from Vibrio vulnificus SB Park, DW Bae, NAB Clavio, L Zhao, CS Jeong, BM Choi, ... Journal of agricultural and food chemistry 66 (40), 10608-10616, 2018 | 16 | 2018 |
| N-terminus-independent activation of c-Src via binding to a tetraspan (in) TM4SF5 in hepatocellular carcinoma is abolished by the TM4SF5 C-terminal peptide application HE Song, Y Lee, E Kim, CY Cho, O Jung, D Lee, EG Lee, SH Nam, ... Theranostics 11 (16), 8092, 2021 | 11 | 2021 |
| Virtual screening against Mycobacterium tuberculosis lipoate protein ligase B (MtbLipB) and in silico ADMET evaluation of top hits JB Billones, MCO Carrillo, VG Organo, SJY Macalino, IA Emnacen, ... Orient J Chem 29 (4), 1457-1468, 2013 | 11 | 2013 |
| Roles of virtual screening and molecular dynamics simulations in discovering and understanding antimalarial drugs SS Duay, RCY Yap, AL Gaitano III, JAA Santos, SJY Macalino International Journal of Molecular Sciences 24 (11), 9289, 2023 | 7 | 2023 |
| Structure-based discovery of small molecule APC-Asef interaction inhibitors: In silico approaches and molecular dynamics simulations SS Jadav, SJY Macalino, R Alluri Journal of Molecular Modeling 26, 1-11, 2020 | 5 | 2020 |
| In silico evaluation of Philippine Natural Products against SARS-CoV-2 Main Protease AJT Cheng, SJY Macalino, JB Billones, MP Balolong, LAE Murao, ... Journal of Molecular Modeling 28 (11), 345, 2022 | 1 | 2022 |
| Molecular Simulations of Unexplored Philippine Plant Constituents on the Inhibition of the Proinflammatory Marker NF-κB p50 Subunit JU Ting, MCS Tan, VAS Ng, SJY Macalino, VC Linis, GG Oyong Crystals 14 (5), 438, 2024 | | 2024 |
| Reverse Docking, Molecular Dynamics Simulation, and Network Analysis Studies to Investigate Potential Antihypertensive Side Effects of Valsartan and Lisinopril. CTS Maala, SJY Macalino, BIC Conde, JBA Sy Philippine Journal of Science 153 (1), 2024 | | 2024 |
| Structural and Functional Analysis of Dengue Virus Non-Structural Protein 5 (NS5) Using Molecular Dynamics DA Fidel, SJY Macalino, G Posadas, MCO Carrillo Crystals 13 (1), 63, 2022 | | 2022 |
| Computer-aided screening for potential inhibitory compounds against a Klebsiella pneumoniae local isolate containing SHV-1 and CTX-M antibiotic resistance genes A Castro, JB Sy, SJ Macalino, N Morales, PA Abid, J Billones, MC Carrillo Philippine Journal of Health Research and Development, 23-30, 2022 | | 2022 |
