Keyword search (4,163 papers available)

"Peslherbe GH" Authored Publications:

Title Authors PubMed ID
1 Synthesis and Acidic pH-Responsive Disassembly of Dual-Location Shell-Sheddable/Core-Degradable Block Copolymer Nanoassemblies and Their Controlled Drug Delivery Andrade-Gagnon B; Casillas-Popova SN; Shamekhi M; Bairagi K; Peslherbe GH; Oh JK; 41524627
CHEMBIOCHEM
2 Molecular docking for screening chemicals of environmental health concern: insight from a case study on bisphenols Norouzi S; Nahmiach N; Perez G; Zhu Y; Peslherbe GH; Muir DCG; Zhang X; 40970403
CHEMBIOCHEM
3 Development of dual acid-visible light-degradable core-crosslinked nanogels with extended conjugate aromatic imines for enhanced drug delivery Bairagi K; Shamekhi M; Tountas I; Letourneau N; Peslherbe GH; Piekny A; Oh JK; 40637173
BIOLOGY
4 High-throughput screening and DFT characterization of bimetallic alloy catalysts for the nitrogen reduction reaction Shamekhi M; Toghraei A; Guay D; Peslherbe GH; 40626812
PHYSICS
5 Comprehensive DFT investigation of small-molecule adsorption on the paradigm M-MOF-74 family of metal-organic frameworks Jodaeeasl N; Wang S; Hu A; Peslherbe GH; 39829319
CERMM
6 Modeling predicts facile release of nitrite but not nitric oxide from the thionitrate CH3SNO2 with relevance to nitroglycerin bioactivation Parmar V; Orabi EA; English AM; Peslherbe GH; 39738238
CERMM
7 Theoretical evidence that Cu(I) complexation promotes degradation of S-nitrosothiols Toubin C; Yeung DY; English AM; Peslherbe GH; 12475301
CERMM
8 Quantum effects on the free energy of ionic aqueous clusters evaluated by nonequilibrium computational methods Hernández de la Peña L; Peslherbe GH; 20377185
CERMM
9 Mechanically induced generation of highly reactive excited-state oxygen molecules in cluster scattering Nguyen TN; Timerghazin QK; Vach H; Peslherbe GH; 21322678
CERMM
10 Conformational analysis of 18-azacrown-6 and its bonding with late first transition series divalent metals: insight from DFT combined with NPA and QTAIM analyses Varadwaj PR; Varadwaj A; Peslherbe GH; Marques HM; 21961695
CERMM
11 Photoinduced electron transfer and solvation dynamics in aqueous clusters: comparison of the photoexcited iodide-water pentamer and the water pentamer anion Mak CC; Timerghazin QK; Peslherbe GH; 22466252
CHEMBIOCHEM
12 Effective simulations of gas diffusion through kinetically accessible tunnels in multisubunit proteins: O2 pathways and escape routes in T-state deoxyhemoglobin Shadrina MS; English AM; Peslherbe GH; 22690872
CERMM
13 An electronic structure theory investigation of the physical chemistry of the intermolecular complexes of cyclopropenylidene with hydrogen halides Varadwaj PR; Varadwaj A; Peslherbe GH; 22696309
CERMM
14 Substituent effects in the absorption spectra of phenol radical species: origin of the redshift caused by 3,5-dimethoxyl substitution Zhang L; Muchall HM; Peslherbe GH; 23216064
CHEMBIOCHEM
15 Computational investigation of the hydration of alkyl diammonium chlorides and their effect on THF/water phase separation Jahangiri S; Mercer SM; Jessop PG; Peslherbe GH; 23789929
CHEMBIOCHEM
16 Photoexcitation and charge-transfer-to-solvent relaxation dynamics of the I(-)(CH3CN) complex Mak CC; Timerghazin QK; Peslherbe GH; 23819756
CHEMBIOCHEM
17 Relaxation pathways of photoexcited iodide-methanol clusters: a computational investigation Mak CC; Peslherbe GH; 24922343
CHEMBIOCHEM
18 Insights into dietary phytochemicals targeting Parkinson's disease key genes and pathways: A network pharmacology approach Sasikumar DSN; Thiruselvam P; Sundararajan V; Ravindran R; Gunasekaran S; Madathil D; Kaliamurthi S; Peslherbe GH; Selvaraj G; Sudhakaran SL; 38460310
CHEMBIOCHEM
19 Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence-II Wei D; Peslherbe GH; Selvaraj G; Wang Y; 38136606
CHEMBIOCHEM
20 Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence-I Wei D; Peslherbe GH; Selvaraj G; Wang Y; 36551273
CHEMBIOCHEM
21 Structure-Based Virtual Screening Reveals Ibrutinib and Zanubrutinib as Potential Repurposed Drugs against COVID-19 Kaliamurthi S; Selvaraj G; Selvaraj C; Singh SK; Wei DQ; Peslherbe GH; 34209188
CHEMBIOCHEM
22 Are the Allergic Reactions of COVID-19 Vaccines Caused by mRNA Constructs or Nanocarriers? Immunological Insights Selvaraj G; Kaliamurthi S; Peslherbe GH; Wei DQ; 34021862
CHEMBIOCHEM
23 Identifying potential drug targets and candidate drugs for COVID-19: biological networks and structural modeling approaches Selvaraj G; Kaliamurthi S; Peslherbe GH; Wei DQ; 33968364
CERMM
24 Circulating miR-1246 Targeting UBE2C, TNNI3, TRAIP, UCHL1 Genes and Key Pathways as a Potential Biomarker for Lung Adenocarcinoma: Integrated Biological Network Analysis Huang S; Wei YK; Kaliamurthi S; Cao Y; Nangraj AS; Sui X; Chu D; Wang H; Wei DQ; Peslherbe GH; Selvaraj G; Shi J; 33050659
CHEMBIOCHEM
25 Computational insight into hydrogen persulfide and a new additive model for chemical and biological simulations Orabi EA; Peslherbe GH; 31297500
CHEMBIOCHEM

 

Title:Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence-II
Authors:Wei D,  Peslherbe GH,  Selvaraj G,  Wang Y
Link:https://pubmed.ncbi.nlm.nih.gov/38136606/
DOI:10.3390/biom13121735
Publication:Biomolecules
Keywords:
PMID:38136606 Category: Date Added:2023-12-23
Dept Affiliation: CHEMBIOCHEM
1 State Key Laboratory of Microbial Metabolism, Joint International Research Laboratory of Metabolic & Developmental Sciences, School of Life Sciences and Biotechnology, Shanghai Jiao Tong University, Minhang, Shanghai 200240, China.
2 Centre for Research in Molecular Modeling (CERMM), Department of Chemistry and Biochemistry, Concordia University, Montreal, QC H4B 1R6, Canada.
3 Bioinformatics Unit, Department of Biomaterials, Saveetha Dental College and Hospital, Saveetha Institute of Medical and Technical Sciences (SIMATS) University, Chennai 600077, TN, India.

Description:

Building on our 2021-2022 Special Issue, "Advances in Drug Design and Development for Human Therapeutics Using Artificial Intelligence [...].





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