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Peng Tao (陶鹏)
Peng Tao (陶鹏)
Associate Professor, Chemistry Department, Southern Methodist University
Verified email at smu.edu - Homepage
Title
Cited by
Cited by
Year
Chemiluminescent probes for imaging H 2 S in living animals
J Cao, R Lopez, JM Thacker, JY Moon, C Jiang, SNS Morris, JH Bauer, ...
Chemical science 6 (3), 1979-1985, 2015
1422015
t-Distributed stochastic neighbor embedding method with the least information loss for macromolecular simulations
H Zhou, F Wang, P Tao
Journal of chemical theory and computation 14 (11), 5499-5510, 2018
882018
Insights into key interactions between vancomycin and bacterial cell wall structures
F Wang, H Zhou, OP Olademehin, SJ Kim, P Tao
ACS omega 3 (1), 37-45, 2018
742018
A toolkit to assist ONIOM calculations
P Tao, HB Schlegel
Journal of computational chemistry 31 (12), 2363-2369, 2010
702010
Matrix metalloproteinase 2 inhibition: combined quantum mechanics and molecular mechanics studies of the inhibition mechanism of (4-phenoxyphenylsulfonyl) methylthiirane and …
P Tao, JF Fisher, Q Shi, T Vreven, S Mobashery, HB Schlegel
Biochemistry 48 (41), 9839-9847, 2009
682009
Protein ligand docking based on empirical method for binding affinity estimation
P Tao, L Lai
Journal of computer-aided molecular design 15, 429-446, 2001
622001
Photomodulated chiral induction in helical azobenzene oligomers
ED King, P Tao, TT Sanan, CM Hadad, JR Parquette
Organic Letters 10 (9), 1671-1674, 2008
572008
Calculating partition coefficients of peptides by the addition method
P Tao, R Wang, L Lai
Molecular modeling annual 5, 189-195, 1999
561999
UMAP as a dimensionality reduction tool for molecular dynamics simulations of biomacromolecules: a comparison study
F Trozzi, X Wang, P Tao
The Journal of Physical Chemistry B 125 (19), 5022-5034, 2021
512021
Allosteric regulation at the crossroads of new technologies: Multiscale modeling, networks, and machine learning
GM Verkhivker, S Agajanian, G Hu, P Tao
Frontiers in molecular biosciences 7, 136, 2020
492020
PASSer: Prediction of allosteric sites server
H Tian, X Jiang, P Tao
Machine learning: science and technology 2 (3), 035015, 2021
472021
Synthesis of l-Daunosamine and l-Ristosamine Glycosides via Photoinduced Aziridination. Conversion to Thioglycosides for Use in Glycosylation Reactions
MT Mendlik, P Tao, CM Hadad, RS Coleman, TL Lowary
The Journal of Organic Chemistry 71 (21), 8059-8070, 2006
472006
Predicting potential SARS-COV-2 drugs—In depth drug database screening using deep neural network framework SSnet, classical virtual screening and docking
N Karki, N Verma, F Trozzi, P Tao, E Kraka, B Zoltowski
International Journal of Molecular Sciences 22 (4), 1573, 2021
412021
Rigid residue scan simulations systematically reveal residue entropic roles in protein allostery
R Kalescky, H Zhou, J Liu, P Tao
PLoS computational biology 12 (4), e1004893, 2016
362016
Identifying key residues for protein allostery through rigid residue scan
R Kalescky, J Liu, P Tao
The Journal of Physical Chemistry A 119 (9), 1689-1700, 2015
352015
Computational modeling of human paraoxonase 1: preparation of protein models, binding studies, and mechanistic insights
TT Sanan, S Muthukrishnan, JM Beck, P Tao, CJ Hayes, TC Otto, ...
Journal of Physical Organic Chemistry 23 (4), 357-369, 2010
322010
ADMETboost: A web server for accurate ADMET prediction
H Tian, R Ketkar, P Tao
Journal of molecular modeling 28 (12), 408, 2022
302022
Recognition of protein allosteric states and residues: Machine learning approaches
H Zhou, Z Dong, P Tao
Journal of computational chemistry 39 (20), 1481-1490, 2018
302018
DFT studies of the ring-opening mechanism of SB-3CT, a potent inhibitor of matrix metalloproteinase 2
P Tao, JF Fisher, S Mobashery, HB Schlegel
Organic letters 11 (12), 2559-2562, 2009
302009
Explore protein conformational space with variational autoencoder
H Tian, X Jiang, F Trozzi, S Xiao, EC Larson, P Tao
Frontiers in molecular biosciences 8, 781635, 2021
292021
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Articles 1–20