130 Publications (Page 1 of 6)
2023
Drug Discovery in Low Data Regimes: Leveraging a Computational Pipeline for the Discovery of Novel SARS-CoV-2 Nsp14-MTase Inhibitors.
Nigam, AkshatKumar⋅Hurley, Matthew F D⋅Li, Fengling⋅KonkoĬová, Eva⋅Konkoĭová, Eva⋅Klíma, Martin⋅Trylčová, Jana⋅Pollice, Robert⋅Çinaroğlu, Süleyman Selim⋅Çinaroǧlu, Süleyman Selim⋅Levin-Konigsberg, Roni⋅Handjaya, Jasemine⋅al.⋅Schapira, Matthieu⋅Chau, Irene⋅Perveen, Sumera⋅Ng, Ho-Leung⋅Kaniskan, H Ümit⋅Han, Yulin⋅Singh, Sukrit⋅Gorgulla, Christoph⋅Kundaje, Anshul⋅Jin, Jian⋅Voelz, Vincent A⋅Weber, Jan⋅Nencka, Radim⋅Boura, Evzen⋅Vedadi, Masoud and Aspuru-Guzik, Alán
bioRxiv : the preprint server for biology, October 4, 2023. | Journal Article
2021
-Book chapter-
In Generative AI Models for Drug Discovery. Topics in Medicinal Chemistry
 
Mechanisms of allosteric and mixed mode aromatase inhibitors
Souza, Samson A.⋅Held, Abby⋅Lu, Wenjie J.⋅Drouhard, Brendan⋅Avila, Bryant⋅Leyva-Montes, Raul⋅Hu, Michelle⋅Miller, Bill R. and Ng, Ho Leung
RSC Chemical Biology. | Journal Article
2020
Decoding allosteric communication pathways in protein lysine acetyltransferase.
Rehman, Ashfaq Ur⋅Rahman, Mueed Ur⋅Lu, Shaoyong⋅Liu, Hao⋅Li, Jia-Yi⋅Arshad, Taaha⋅Wadood, Abdul⋅Ng, Ho Leung and Chen, Hai-Feng
International journal of biological macromolecules, January 24, 2020. | Journal Article
 
Deep neural network affinity model for BACE inhibitors in D3R Grand Challenge 4
Wang, Bo and Ng, Ho-Leung
Journal of Computer-Aided Molecular Design, vol. 34, pp. 201–217. | Journal Article
 
ROR\upgamma Structural Plasticity and Druggability
Huang, Mian⋅Bolin, Shelby⋅Miller, Hannah and Ng, Ho Leung
International Journal of Molecular Sciences, vol. 21, pp. 5329. | Journal Article
2019
A Detailed Protocol for Large-scale Recombinant Expression and Validation of Human FGFR2 with Its Transmembrane and Extracellular Domains in Escherichia coli
BIO-PROTOCOL. | Journal Article
 
Deep neural network affinity model for BACE inhibitors in D3R Grand Challenge 4
Wang, Bo and Ng, Ho-Leung
Cold Spring Harbor Laboratory
 
G Protein-Coupled Estrogen Receptor Production Using an Escherichia coli Cell-Free Expression System.
Souza, Samson A⋅Kurohara, Dane T⋅Dabalos, Chester L and Ng, Ho Leung
Current protocols in protein science, vol. 97, (no. 1), pp. e88, September 2019. | Journal Article
 
Insights from Molecular Dynamics Simulations for GPCR Drug Discovery
 
In-silico Design of Peptide Inhibitors of K-Ras Target in Cancer Disease.
Ghufran, Mehreen⋅Rehman, Ashfaq Ur⋅Shah, Masaud⋅Ayaz, Muhammad⋅Ng, Ho Leung and Wadood, Abdul
Journal of biomolecular structure & dynamics, pp. 1-20, December 14, 2019. | Journal Article
 
Recent insights from molecular dynamics simulations for g protein-coupled receptor drug discovery
Zou, Y.⋅Ewalt, J. and Ng, H.-L.
International Journal of Molecular Sciences, vol. 20. | Journal Article
2018
Locating ligand binding sites in G-protein coupled receptors using combined information from docking and sequence conservation
Vidad, Ashley R.⋅Macaspac, Stephen and Ng, Ho-Leung
Cold Spring Harbor Laboratory
 
Locating ligand binding sites in G-protein coupled receptors using combined information from docking and sequence conservation
Vidad, Ashley R.⋅Macaspac, Stephen and Ng, Ho-Leung
Cold Spring Harbor Laboratory
 
Mutation of Phenylalanine-223 to Leucine Enhances Transformation of Benzo[a]pyrene by Ring-Hydroxylating Dioxygenase of Sphingobium sp. FB3 by increasing Accessibility of the Catalytic Site
Fu, B.⋅Xu, T.⋅Cui, Z.⋅Ng, H.L.⋅Wang, K.⋅Li, J. and Li, Q.X.
Journal of Agricultural and Food Chemistry, vol. 66, pp. 1206-1213. | Journal Article
 
Protection against ?-amyloid neurotoxicity by a non-toxic endogenous N-terminal ?-amyloid fragment and its active hexapeptide core sequence
Forest, Kelly⋅Forest, K.H.⋅Alfulaij, Naghum⋅Alfulaij, N.⋅Arora, K.⋅Arora, Komal⋅Taketa, Ruth⋅Taketa, R.⋅Sherrin, Tessi⋅Sherrin, T.⋅Todorovic, Cedomir⋅Todorovic, C.⋅Lawrence, J.L.M.⋅Lawrence, James⋅Yoshikawa, G.T.⋅Yoshikawa, Gene⋅Ng, Ho-Leung⋅Ng, H.-L.⋅Hruby, V.J.⋅Hruby, Victor⋅Nichols, R.A. and Nichols, Robert
Journal of Neurochemistry, vol. 144, pp. 201-217. | Journal Article
2017
Recombinant expression in E. coli of human FGFR2 with its transmembrane and extracellular domains.
Bajinting, Adam and Ng, Ho Leung
PeerJ, vol. 5, pp. e3512, 2017. | Journal Article
 
Screening and Identifying Membrane Proteins Favorable for Crystallization. Identifying Membrane Proteins for Crystallization
 
Structural and Biophysical Characterization of the Mycobacterium tuberculosis Protein Rv0577, a Protein Associated with Neutral Red Staining of Virulent Tuberculosis Strains and Homologue of the Streptomyces coelicolor Protein KbpA
Buchko, Garry W.⋅Echols, Nathaniel⋅Flynn, E. Megan⋅Ng, Ho-Leung⋅Stephenson, Samuel⋅Kim, Heung-Bok⋅Myler, Peter J.⋅Terwilliger, Thomas C.⋅Alber, Tom and Kim, Chang-Yub
Biochemistry, vol. 56, pp. 4015–4027. | Journal Article
2016
A bright cyan-excitable orange fluorescent protein facilitates dual-emission microscopy and enhances bioluminescence imaging in vivo
Chu, J.⋅Chu, Jun⋅Chu, Jun⋅Chu, Jun⋅Chu, Jun⋅Oh, Y.⋅Oh, Younghee⋅Oh, Younghee⋅Oh, Younghee⋅Oh, Younghee⋅Sens, Alex⋅Sens, Alex⋅Sens, Alex⋅Sens, A.⋅Sens, Alex⋅Ataie, Niloufar⋅Ataie, Niloufar⋅Ataie, Niloufar⋅Ataie, Niloufar⋅Ataie, N.⋅Dana, Hod⋅Dana, Hod⋅Dana, H.⋅Dana, Hod⋅Dana, Hod⋅Macklin, J.J.⋅Macklin, John J⋅Macklin, John J⋅Macklin, John J⋅Macklin, John J⋅Laviv, Tal⋅Laviv, Tal⋅Laviv, Tal⋅Laviv, Tal⋅Laviv, T.⋅Welf, E.S.⋅Welf, Erik S⋅Welf, Erik S⋅Welf, Erik S⋅Welf, Erik S⋅Dean, Kevin M⋅Dean, Kevin M⋅Dean, Kevin M⋅Dean, K.M.⋅Dean, Kevin M⋅Zhang, F.⋅Zhang, Feijie⋅Zhang, Feijie⋅Zhang, Feijie⋅Zhang, Feijie⋅Kim, B.B.⋅Kim, Benjamin B⋅Kim, Benjamin B⋅Kim, Benjamin B⋅Kim, Benjamin B⋅Tang, Clement T⋅Tang, Clement Tran⋅Tang, C.T.⋅Tang, Clement T⋅Tang, Clement Tran⋅Hu, Michelle⋅Hu, Michelle⋅Hu, M.⋅Hu, Michelle⋅Hu, Michelle⋅Baird, Michelle A⋅Baird, Michelle A⋅Baird, Michelle A⋅Baird, Michelle A⋅Baird, M.A.⋅Davidson, Michael W⋅Davidson, Michael W⋅Davidson, M.W.⋅Davidson, Michael W⋅Davidson, Michael W⋅Kay, Mark A⋅Kay, Mark A⋅Kay, Mark A⋅Kay, M.A.⋅Kay, Mark A⋅Fiolka, Reto⋅Fiolka, Reto⋅Fiolka, R.⋅Fiolka, Reto⋅Fiolka, Reto⋅Yasuda, R.⋅Yasuda, Ryohei⋅Yasuda, Ryohei⋅Yasuda, Ryohei⋅Yasuda, Ryohei⋅Kim, Douglas S⋅Kim, Douglas S⋅Kim, Douglas S⋅Kim, D.S.⋅Kim, Douglas S⋅Ng, Ho-Leung⋅Ng, Ho-leung⋅Ng, Ho-leung⋅Ng, H.-L.⋅Ng, Ho-Leung⋅Lin, Michael Z⋅Lin, Michael Z⋅Lin, M.Z.⋅Lin, Michael Z and Lin, Michael Z
Nature Biotechnology, vol. 34, pp. 760-767. | Journal Article
 
Locating the ligand binding sites for the G-protein coupled estrogen receptor ({GPER}) using combined information from docking and sequence conservation
Vidad, Ashley R.⋅Macaspac, Stephen and Ng, Ho Leung
Cold Spring Harbor Laboratory Press
 
Simulations reveal increased fluctuations in estrogen receptor-alpha conformation upon antagonist binding.
Ng, Ho Leung
Journal of molecular graphics & modelling, vol. 69, pp. 72-77, August 24, 2016. | Journal Article
 
Structure-guided wavelength tuning in far-red fluorescent proteins.
Ng, Ho-Leung and Lin, Michael Z
Current opinion in structural biology, vol. 39, pp. 124-133, July 25, 2016. | Journal Article
 
Structure of a TCR-Mimic Antibody with Target Predicts Pharmacogenetics.
Ataie, Niloufar⋅Ng, Ho Leung⋅Xiang, Jingyi⋅Cheng, Neal⋅Brea, Elliott J⋅Lu, Wenjie⋅Scheinberg, David A⋅Liu, Cheng and Ng, Ho Leung
. | Journal Article
2015
Large-scale identification of membrane proteins with properties favorable for crystallization.
Kim, Jared⋅Kagawa, Allison⋅Kurasaki, Kellie⋅Ataie, Niloufar⋅Cho, Il Kyu⋅Li, Qing X and Ng, Ho Leung
Protein science : a publication of the Protein Society, vol. 24, (no. 11), pp. 1756-1763, November 2015. | Journal Article