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For: Salo-ahen OMH, Alanko I, Bhadane R, Bonvin AMJJ, Honorato RV, Hossain S, Juffer AH, Kabedev A, Lahtela-kakkonen M, Larsen AS, Lescrinier E, Marimuthu P, Mirza MU, Mustafa G, Nunes-alves A, Pantsar T, Saadabadi A, Singaravelu K, Vanmeert M. Molecular Dynamics Simulations in Drug Discovery and Pharmaceutical Development. Processes 2021;9:71. [DOI: 10.3390/pr9010071] [Cited by in Crossref: 42] [Cited by in F6Publishing: 45] [Article Influence: 21.0] [Reference Citation Analysis]
Number Citing Articles
1 Rao MRP, Sonawane AS, Sapate SA, Mehta CH, Nayak U. Molecular modeling and in vitro studies to assess solubility enhancement of nevirapine by solid dispersion technique. Journal of Molecular Structure 2023;1273:134373. [DOI: 10.1016/j.molstruc.2022.134373] [Reference Citation Analysis]
2 Ahmad Mir S, Paramita Mohanta P, Kumar Meher R, baitharu I, Kumar Raval M, Kumar Behera A, Nayak B. Structural insights into conformational stability and binding of thiazolo-[2,3-b] quinazolinone derivatives with EGFR-TKD and in-vitro study. Saudi Journal of Biological Sciences 2022;29:103478. [DOI: 10.1016/j.sjbs.2022.103478] [Reference Citation Analysis]
3 Dhameliya TM, Tiwari R, Banerjee A, Pancholia S, Sriram D, Panda D, Chakraborti AK. Benzo[d]thiazole-2-carboxamides as new antituberculosis chemotypes inhibiting mycobacterial ATP phosphoribosyl transferase. Future Medicinal Chemistry 2022. [DOI: 10.4155/fmc-2022-0226] [Reference Citation Analysis]
4 Gonçalves S, Martins IC, Santos NC. Nanoparticle‐peptide conjugates for bacterial detection and neutralization: Potential applications in diagnostics and therapy. WIREs Nanomed Nanobiotechnol 2022;14. [DOI: 10.1002/wnan.1819] [Reference Citation Analysis]
5 Guo C, Li Q, Xiao J, Ma F, Xia X, Shi M. Identification of defactinib derivatives targeting focal adhesion kinase using ensemble docking, molecular dynamics simulations and binding free energy calculations. Journal of Biomolecular Structure and Dynamics 2022. [DOI: 10.1080/07391102.2022.2135601] [Reference Citation Analysis]
6 Kalim M, Ali H, Rehman AU, Lu Y, Zhan J. Bioengineering and computational analysis of programmed cell death ligand-1 monoclonal antibody. Front Immunol 2022;13:1012499. [DOI: 10.3389/fimmu.2022.1012499] [Reference Citation Analysis]
7 Verma K, Lahariya AK, Verma G, Kumari M, Gupta D, Maurya N, Verma AK, Mani A, Schneider KA, Bharti PK. Screening of potential antiplasmodial agents targeting cysteine protease-Falcipain 2: a computational pipeline. J Biomol Struct Dyn 2022;:1-44. [PMID: 36218071 DOI: 10.1080/07391102.2022.2130984] [Reference Citation Analysis]
8 Akhunzada MJ, Yoon HJ, Deb I, Braka A, Wu S. Bell-Evans model and steered molecular dynamics in uncovering the dissociation kinetics of ligands targeting G-protein-coupled receptors. Sci Rep 2022;12. [DOI: 10.1038/s41598-022-20065-2] [Reference Citation Analysis]
9 Molla MHR, Aljahdali MOO. Compounds identified from the marine Sea Urchin (Diadema savignyi) as Potential Anti-Cancer Drug Candidate against Human Colorectal Cancer: A Bioinformatics Approaches.. [DOI: 10.21203/rs.3.rs-2045312/v1] [Reference Citation Analysis]
10 Bajad NG, Swetha R, Singh R, Ganeshpurkar A, Gutti G, Singh RB, Kumar A, Singh SK. Combined structure and ligand-based design of dual BACE-1/GSK-3β inhibitors for Alzheimer’s disease. Chem Pap . [DOI: 10.1007/s11696-022-02421-8] [Reference Citation Analysis]
11 Souza FR, Moura PG, Costa RKM, Silva RS, Pimentel AS. Absolute binding free energies of mucroporin and its analog mucroporin-M1 with the heptad repeat 1 domain and RNA-dependent RNA polymerase of SARS-CoV-2. J Biomol Struct Dyn 2022;:1-12. [PMID: 35993479 DOI: 10.1080/07391102.2022.2114014] [Reference Citation Analysis]
12 Veríssimo GC, Serafim MSM, Kronenberger T, Ferreira RS, Honorio KM, Maltarollo VG. Designing drugs when there is low data availability: one-shot learning and other approaches to face the issues of a long-term concern. Expert Opin Drug Discov 2022. [PMID: 35983695 DOI: 10.1080/17460441.2022.2114451] [Reference Citation Analysis]
13 Moin AT, Khanam M, Patil RB, Ahmed KA, Ripon Khalipha AB, Ahmed N, Bagchi R, Ullah MA, Ferdoush J, Islam S, Rudra B. Computational modeling of potential milciclib derivatives inhibitor-CDK2 binding through global docking and accelerated molecular dynamics simulations. Informatics in Medicine Unlocked 2022. [DOI: 10.1016/j.imu.2022.101069] [Reference Citation Analysis]
14 Ahmad HM, Abrar M, Izhar O, Zafar I, Rather MA, Alanazi AM, Malik A, Rauf A, Bhat MA, Wani TA, Khan AA. Characterization of fenugreek and its natural compounds targeting AKT-1 protein in cancer: Pharmacophore, virtual screening, and MD simulation techniques. Journal of King Saud University - Science 2022;34:102186. [DOI: 10.1016/j.jksus.2022.102186] [Reference Citation Analysis]
15 Sebastian J, Raghav D, Rathinasamy K. MD simulation-based screening approach identified tolvaptan as a potential inhibitor of Eg5. Mol Divers. [DOI: 10.1007/s11030-022-10482-w] [Reference Citation Analysis]
16 Inam W, Bhadane R, Akpolat RN, Taiseer RA, Filippov SK, Salo‐ahen OMH, Rosenholm JM, Zhang H. Interactions between polymeric nanoparticles and different buffers as investigated by zeta potential measurements and molecular dynamics simulations. VIEW 2022;3:20210009. [DOI: 10.1002/viw.20210009] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 2.0] [Reference Citation Analysis]
17 Lee Y, Yoon SB, Hong H, Kim HY, Jung D, Moon BS, Park WK, Lee S, Kwon H, Park J, Cho H. Discovery of GSK3β Inhibitors through In Silico Prediction-and-Experiment Cycling Strategy, and Biological Evaluation. Molecules 2022;27:3825. [PMID: 35744952 DOI: 10.3390/molecules27123825] [Reference Citation Analysis]
18 Matada GSP, Dhiwar PS, Abbas N, Singh E, Ghara A, Patil R, Raghavendra NM. Pharmacophore modeling, virtual screening, molecular docking and dynamics studies for the discovery of HER2-tyrosine kinase inhibitors: An in-silico approach. Journal of Molecular Structure 2022;1257:132531. [DOI: 10.1016/j.molstruc.2022.132531] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
19 Alamri MA, Mirza MU, Adeel MM, Ashfaq UA, Tahir ul Qamar M, Shahid F, Ahmad S, Alatawi EA, Albalawi GM, Allemailem KS, Almatroudi A. Structural Elucidation of Rift Valley Fever Virus L Protein towards the Discovery of Its Potential Inhibitors. Pharmaceuticals 2022;15:659. [DOI: 10.3390/ph15060659] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
20 Mirza MU, Alanko I, Vanmeert M, Muzzarelli KM, Salo-Ahen OMH, Abdullah I, Kovari IA, Claes S, De Jonghe S, Schols D, Schinazi RF, Kovari LC, Trant JF, Ahmad S, Froeyen M. The discovery of Zika virus NS2B-NS3 inhibitors with antiviral activity via an integrated virtual screening approach. Eur J Pharm Sci 2022;:106220. [PMID: 35618201 DOI: 10.1016/j.ejps.2022.106220] [Reference Citation Analysis]
21 Rebelo P, Pacheco JG, Voroshylova IV, Seguro I, Cordeiro MNDS, Delerue-matos C. Computational Modelling and Sustainable Synthesis of a Highly Selective Electrochemical MIP-Based Sensor for Citalopram Detection. Molecules 2022;27:3315. [DOI: 10.3390/molecules27103315] [Reference Citation Analysis]
22 Deng L, Zeng Y, Liu H, Liu Z, Liu X. DeepMHADTA: Prediction of Drug-Target Binding Affinity Using Multi-Head Self-Attention and Convolutional Neural Network. CIMB 2022;44:2287-99. [DOI: 10.3390/cimb44050155] [Reference Citation Analysis]
23 Djokovic N, Ruzic D, Rahnasto-Rilla M, Srdic-Rajic T, Lahtela-Kakkonen M, Nikolic K. Expanding the Accessible Chemical Space of SIRT2 Inhibitors through Exploration of Binding Pocket Dynamics. J Chem Inf Model 2022. [PMID: 35467856 DOI: 10.1021/acs.jcim.2c00241] [Cited by in F6Publishing: 1] [Reference Citation Analysis]
24 Owhal A, Gautam D, Belgamwar SU, Rao VKP. Atomistic approach to analyse transportation of water nanodroplet through a vibrating nanochannel: scope in bio-NEMS applications. Molecular Simulation. [DOI: 10.1080/08927022.2022.2052065] [Reference Citation Analysis]
25 Joshi BP, Bhandare VV, Patel P, Sharma A, Patel R, Krishnamurthy R. Molecular modelling studies and identification of novel phytochemical inhibitor of DLL3. J Biomol Struct Dyn 2022;:1-21. [PMID: 35220906 DOI: 10.1080/07391102.2022.2045224] [Reference Citation Analysis]
26 Othman Aljahdali M, Habibur Rahman Molla M, Ahammad F. Immunoinformatics and Computer-Aided Drug Design as New Approaches against Emerging and Re-Emerging Infectious Diseases. Antiviral Drugs [Working Title] 2022. [DOI: 10.5772/intechopen.101367] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 4.0] [Reference Citation Analysis]
27 Kumar D, Sharma P, Mahajan A, Dhawan R, Dua K. Pharmaceutical interest of in-silico approaches. Physical Sciences Reviews 2022;0. [DOI: 10.1515/psr-2018-0157] [Reference Citation Analysis]
28 Wang L, Wang Y, Zhao J, Yu Y, Kang N, Yang Z. Theoretical exploration of the binding selectivity of inhibitors to BRD7 and BRD9 with multiple short molecular dynamics simulations. RSC Adv 2022;12:16663-76. [DOI: 10.1039/d2ra02637f] [Cited by in F6Publishing: 1] [Reference Citation Analysis]
29 Basciu A, Callea L, Motta S, Bonvin AM, Bonati L, Vargiu AV. No dance, no partner! A tale of receptor flexibility in docking and virtual screening. Virtual Screening and Drug Docking 2022. [DOI: 10.1016/bs.armc.2022.08.006] [Reference Citation Analysis]
30 Ali A, Bhadane R, Asl AA, Wilén C, Salo-ahen O, Rosenholm JM, Bansal KK. Functional block copolymer micelles based on poly (jasmine lactone) for improving the loading efficiency of weakly basic drugs. RSC Adv 2022;12:26763-75. [DOI: 10.1039/d2ra03962a] [Reference Citation Analysis]
31 Barcelos MP, Gomes SQ, Federico LB, Francischini IAG, Hage-melim LIDS, Silva GM, de Paula da Silva CHT. Lead Optimization in Drug Discovery. Research Topics in Bioactivity, Environment and Energy 2022. [DOI: 10.1007/978-3-031-07622-0_19] [Reference Citation Analysis]
32 Shumyantseva VV, Koroleva PI, Bulko TV, Sergeev GV, Usanov SA. Predicting drug-drug interactions by electrochemically driven cytochrome P450 3A4 reactions. Drug Metab Pers Ther 2021. [PMID: 34860476 DOI: 10.1515/dmpt-2021-0116] [Cited by in Crossref: 1] [Cited by in F6Publishing: 1] [Article Influence: 1.0] [Reference Citation Analysis]
33 Lagoutte-Renosi J, Allemand F, Ramseyer C, Yesylevskyy S, Davani S. Molecular modeling in cardiovascular pharmacology: Current state of the art and perspectives. Drug Discov Today 2021:S1359-6446(21)00533-X. [PMID: 34863931 DOI: 10.1016/j.drudis.2021.11.026] [Cited by in F6Publishing: 1] [Reference Citation Analysis]
34 Pujol-Navarro N, Al Qaraghuli MM, Kubiak-Ossowska K, Alsaadi MM, Horne GA, Soutar RL, Paspali E, Ferro VA, Williams MT, Mulheran PA. Multiple myeloma: therapeutic delivery of antibodies and aptamers. Ther Deliv 2021;12:705-22. [PMID: 34569269 DOI: 10.4155/tde-2021-0041] [Cited by in Crossref: 2] [Cited by in F6Publishing: 2] [Article Influence: 2.0] [Reference Citation Analysis]
35 Zarnitsyna VI, Gianlupi JF, Hagar A, Sego TJ, Glazier JA. Advancing therapies for viral infections using mechanistic computational models of the dynamic interplay between the virus and host immune response. Curr Opin Virol 2021;50:103-9. [PMID: 34450519 DOI: 10.1016/j.coviro.2021.07.007] [Cited by in Crossref: 4] [Cited by in F6Publishing: 4] [Article Influence: 4.0] [Reference Citation Analysis]
36 Radan M, Bošković J, Dobričić V, Čudina O, Nikolić K. Current computer-aided drug design methodologies in discovery of novel drug candidates for neuropsychiatric and inflammatory diseases. Arhiv za farmaciju 2021;71:225-56. [DOI: 10.5937/arhfarm71-32523] [Reference Citation Analysis]
37 Sanjeev BS, Chitara D. Big Data over Cloud: Enabling Drug Design Under Cellular Environment. Big Data Analytics 2021. [DOI: 10.1007/978-3-030-93620-4_20] [Reference Citation Analysis]