IBL Tool - Digitale Bibliotheek

Digitale Bibliotheek

Sluiten

Tijdschrift beschrijving

Alle jaargangen van het bijbehorende tijdschrift

Alle afleveringen van het bijbehorende jaargang

Alle artikelen van de bijbehorende aflevering

51 gevonden resultaten

nr	titel	auteur	tijdschrift	jaar	jaarg.	afl.	pagina('s)	type
1	A comparative analysis of computational drug repurposing approaches: proposing a novel tensor-matrix-tensor factorization method	Zabihian, Arash			28	4	p. 2177-2196	artikel
2	A consensual machine-learning-assisted QSAR model for effective bioactivity prediction of xanthine oxidase inhibitors using molecular fingerprints	Wu, Yanling			28	4	p. 2033-2048	artikel
3	A deep learning-based theoretical protocol to identify potentially isoform-selective PI3Kα inhibitors	Shafiq, Muhammad			28	4	p. 1907-1924	artikel
4	AI and ML for small molecule drug discovery in the big data era II	Roy, Kunal			28	4	p. 1847-1848	artikel
5	An updated literature on BRAF inhibitors (2018–2023)	Maji, Lalmohan			28	4	p. 2689-2730	artikel
6	Application progress of deep generative models in de novo drug design	Liu, Yingxu			28	4	p. 2411-2427	artikel
7	Artificial intelligence assisted identification of potential tau aggregation inhibitors: ligand- and structure-based virtual screening, in silico ADME, and molecular dynamics study	Das, Bhanuranjan			28	4	p. 2013-2031	artikel
8	Bioinspired thiazolo-[2,3-b] quinazolin-6-one derivatives as potent anti-cancer agents targeting EGFR: their biological evaluations and in silico assessment	Mir, Showkat Ahmad			28	4	p. 2479-2494	artikel
9	Chemical analogue based drug design for cancer treatment targeting PI3K: integrating machine learning and molecular modeling	Bazuhair, Mohammed A.			28	4	p. 2345-2364	artikel
10	Classification models for predicting the bioactivity of pan-TRK inhibitors and SAR analysis	Zhao, Xiaoman			28	4	p. 2077-2097	artikel
11	Classification of FLT3 inhibitors and SAR analysis by machine learning methods	Zhao, Yunyang			28	4	p. 1995-2011	artikel
12	Computational biology-based study of the molecular mechanism of spermidine amelioration of acute pancreatitis	Shen, Yan			28	4	p. 2583-2601	artikel
13	Computational prediction of phytochemical inhibitors against the cap-binding domain of Rift Valley fever virus	Muralitharan, Ishwarya			28	4	p. 2637-2650	artikel
14	Construction of IRAK4 inhibitor activity prediction model based on machine learning	Zhao, Yihuan			28	4	p. 2289-2300	artikel
15	Data mining and molecular dynamics analysis to detect HIV-1 reverse transcriptase RNase H activity inhibitor	Ghafoor, Naeem Abdul			28	4	p. 1869-1888	artikel
16	Deep learning algorithms applied to computational chemistry	Guzman-Pando, Abimael			28	4	p. 2375-2410	artikel
17	Development and validation of machine learning models for the prediction of SH-2 containing protein tyrosine phosphatase 2 inhibitors	Adhikari, Nilanjan			28	4	p. 1889-1905	artikel
18	Elucidating the functional impact of G137V and G144R variants in Maroteaux Lamy’s Syndrome by Molecular Dynamics Simulation	Madhana Priya, N.			28	4	p. 2049-2063	artikel
19	Explainable artificial intelligence-assisted virtual screening and bioinformatics approaches for effective bioactivity prediction of phenolic cyclooxygenase-2 (COX-2) inhibitors using PubChem molecular fingerprints	Rudrapal, Mithun			28	4	p. 2099-2118	artikel
20	Exploration of the molecular mechanism of tea polyphenols against pulmonary hypertension by integrative approach of network pharmacology, molecular docking, and experimental verification	Yang, Huan			28	4	p. 2603-2616	artikel
21	Exploring proteasome inhibition using atomic weighted vector indices and machine learning approaches	Martínez-López, Yoan			28	4	p. 1983-1994	artikel
22	Exploring putative drug properties associated with TNF-alpha inhibition and identification of potential targets in cardiovascular disease using machine learning-assisted QSAR modeling and virtual reverse pharmacology approach	Shah, Manisha			28	4	p. 2263-2287	artikel
23	FGFR1Pred: an artificial intelligence-based model for predicting fibroblast growth factor receptor 1 inhibitor	Charan, Ekambarapu Sree			28	4	p. 2065-2076	artikel
24	Identification of mycobacterial Thymidylate kinase inhibitors: a comprehensive pharmacophore, machine learning, molecular docking, and molecular dynamics simulation studies	Chikhale, Rupesh V.			28	4	p. 1947-1964	artikel
25	Identification of novel potential inhibitors of monkeypox virus thymidine kinase using molecular docking, molecular dynamics simulation and MM/PBSA methods	Abdizadeh, Tooba			28	4	p. 2513-2546	artikel
26	Identification of potential FAK inhibitors using mol2vec molecular descriptor-based QSAR, molecular docking, ADMET study, and molecular dynamics simulation	Hang, Nguyen Thu			28	4	p. 2163-2175	artikel
27	Identification of potential PIM-2 inhibitors via ligand-based generative models, molecular docking and molecular dynamics simulations	Qin, Tianli			28	4	p. 2245-2262	artikel
28	Improved QSAR models for PARP-1 inhibition using data balancing, interpretable machine learning, and matched molecular pair analysis	Gomatam, Anish			28	4	p. 2135-2152	artikel
29	In silico screening of Fyn kinase inhibitors using classification-based QSAR model, molecular docking, molecular dynamics and ADME study	Hang, Nguyen Thu			28	4	p. 2217-2228	artikel
30	Investigation of bacterial DNA gyrase Inhibitor classification models and structural requirements utilizing multiple machine learning methods	Zhou, Guozheng			28	4	p. 2119-2133	artikel
31	In-vitro antiviral activity and in-silico targeted study of quinoline-3-carboxylate derivatives against SARS-Cov-2 isolate	Mittal, Ravi Kumar			28	4	p. 2651-2665	artikel
32	In vitro trypanocidal activities and structure–activity relationships of ciprofloxacin analogs	Janse van Rensburg, Helena D.			28	4	p. 2667-2680	artikel
33	LGBM-ACp: an ensemble model for anticancer peptide prediction and in silico screening with potential drug targets	Garai, Swarnava			28	4	p. 1965-1981	artikel
34	Machine learning-based classification models for non-covalent Bruton’s tyrosine kinase inhibitors: predictive ability and interpretability	Li, Guo			28	4	p. 2429-2447	artikel
35	MLASM: Machine learning based prediction of anticancer small molecules	Balaji, Priya Dharshini			28	4	p. 2153-2161	artikel
36	Molecular design of hydroxamic acid-based derivatives as urease inhibitors of Helicobacter pylori	Wang, Na			28	4	p. 2229-2244	artikel
37	MolGC: molecular geometry comparator algorithm for bond length mean absolute error computation on molecules	Camarillo-Cisneros, Javier			28	4	p. 1925-1945	artikel
38	Multinomial classification of NLRP3 inhibitory compounds based on large scale machine learning approaches	Ishfaq, Muhammad			28	4	p. 1849-1868	artikel
39	Novel molecular inhibitor design for Plasmodium falciparum Lactate dehydrogenase enzyme using machine learning generated library of diverse compounds	Kuldeep, Jitendra			28	4	p. 2331-2344	artikel
40	One-pot synthesis, characterization and antiviral properties of new benzenesulfonamide-based spirothiazolidinones	Apaydın, Çağla Begüm			28	4	p. 2681-2688	artikel
41	PMTPred: machine-learning-based prediction of protein methyltransferases using the composition of k-spaced amino acid pairs	Yadav, Arvind Kumar			28	4	p. 2301-2315	artikel
42	Prediction of Mycobacterium tuberculosis cell wall permeability using machine learning methods	Banerjee, Aritra			28	4	p. 2317-2329	artikel
43	Prediction of Rab5B inhibitors through integrative in silico techniques	Kashyap, Dharmendra			28	4	p. 2547-2562	artikel
44	Probing the molecular mechanisms of α-synuclein inhibitors unveils promising natural candidates through machine-learning QSAR, pharmacophore modeling, and molecular dynamics simulations	Boulaamane, Yassir			28	4	p. 2495-2511	artikel
45	Probing the origins of programmed death ligand-1 inhibition by implementing machine learning-assisted sequential virtual screening techniques	Kuttappan, Shruthy			28	4	p. 2449-2466	artikel
46	Review and perspective on bioinformatics tools using machine learning and deep learning for predicting antiviral peptides	Lefin, Nicolás			28	4	p. 2365-2374	artikel
47	Scoparone chemical modification into semi-synthetic analogues featuring 3-substitution for their anti-inflammatory activity	Kumar, Chetan			28	4	p. 2467-2478	artikel
48	Structure-based pharmacophore modeling and DFT studies of Indian Ocean-derived red algal compounds as PI3Kα inhibitors	vasuki, Archana			28	4	p. 2563-2581	artikel
49	Synthesis, and biological evaluation of EGFR/HER2-NAMPT conjugates for tumor treatment	Ding, Mengyuan			28	4	p. 2617-2636	artikel
50	Unveiling critical structural features for effective HDAC8 inhibition: a comprehensive study using quantitative read-across structure–activity relationship (q-RASAR) and pharmacophore modeling	Khatun, Samima			28	4	p. 2197-2215	artikel
51	You must be flexible enough to be trained, Mr. Dynamics simulator	Danazumi, Ammar Usman			28	4	p. 2731-2733	artikel

51 gevonden resultaten

Koninklijke Bibliotheek - Nationale Bibliotheek van Nederland