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SaveShare Save Comprehensive Computational Investigation of 6-(Benzyloxy)-1-Methyl-4-(Prop-2-en-1-yl)Naphthalene: DFT Analysis, Molecular Docking, and Dynamics Simulations
Khan, Maaz; Haider, Md.; Nadeem, Mohd; Javed, Mohd; Javed, Sadiq; Saba, Nadir; Zaid, Mohd.; Sharma, Manoj; Murtuza, Md Wasee; Javed, Saleem; Aljohani, Mohammed Share Save Quantum Computational, Spectroscopic, Topological, Molecular Docking, and Dynamics Studies of 2-Amino-3-Hydroxypyridine (2A3HP): A Potential Antimicrobial AgentSebastian, Riya; Gomathi, S.; Karpagavalli, K.; Suja, R.; Aljohani, Mohammed; Siddiqui, Nazia; Murtuza, Md Wasee; Zaid, Mohd; Sharma, Manoj; Javed, Saleem Share Save Exploring the Bioactive Potential of 2,2-Dimethyl-1,3-Dioxane-4,6-Dione: A Comprehensive Computational AnalysisAlima, Sheikh; Danish, Md Saiful; Sidrat; Arman, Md; Khan, Fatima; Alvi, Shakeel; Aljohani, Mohammed; Siddiqui, Nazia; Javed, Saleem Share Save Computational and Spectroscopic Investigation of Dl-Methionine as a Potential Anti-Breast Cancer AgentReeda, V. S. Jeba; Divya, P.; Manikandan, A.; Suja, R.; Siddiqui, Nazia; Aljohani, Mohammed; Althubeiti, Khaled; Zaid, Mohd.; Sharma, Manoj; Murtuza, Md Wasee; Javed, Saleem Share Save RETRACTION: Quantum computational, spectroscopic (FT-IR, NMR and UV-Vis) profiling, Hirshfeld surface, molecular docking and dynamics simulation studies on pyridine-2,6-dicarbonyl dichlorideManhas, Farah Manzer; Fatima, Aysha; Verma, Indresh; Siddiqui, Nazia; Muthu, S.; Alsalem, Huda Salem; Savita, Sandhya; Singh, Meenakshi; Javed, Saleem Share Save Share Save Share Save Development and characterization of novel Schiff base-thiazole derivatives: Exploring antimicrobial activity through spectroscopic analysis, DFT calculations, and molecular docking studiesSharma, Mansi; Savita, Sandhya; Wadhwa, Khushbu; Mishra, Vivek; Javed, Saleem; Ranjan, Kumar Rakesh; Rathi, Anuj K.; Kaur, Hardeep Share Save Share Save Share Save Share Save Structural insights and ADMET analysis of CAFI: hydrogen bonding, molecular docking, and drug-likeness in renal function enhancersDivya, P.; Reeda, V. S. Jeba; Rajkumar, P.; Ranchani, A. Amala Jeya; Shahidha, R.; Shahid, Mudassar; Siddiqui, Nazia; Javed, Saleem Share Save Quantum chemical treatment, electronic energy in various solvents, spectroscopic, molecular docking and dynamic simulation studies of 2-amino-N-(2-chloro-6-methylphenyl)thiazole-5-carboxamide: A core of anticancer drugVerma, Nand Lal; Kumar, Shilendra; Kumar, Mohit; Pal, Jai; Sharma, Deepa; Lalji, Ram Sunil Kumar; Chahal, Mohit; Kant, Hari; Rathor, Nisha; Javed, Saleem; Jaiswar, Gautam Share Save Share Save Synthesis and mechanistic studies of 4-aminoquinoline-Isatin molecular hybrids and Schiff's bases as promising antimicrobial agentsShakir, Mohd; Ali, Asghar; Lakshmi, Swati; Garg, Manika; Almuqdadi, Haider Thaer Abdulhameed; Irfan, Iram; Kamthan, Mohan; Joshi, Mukesh C.; Javed, Saleem; Rawat, Diwan S.; Abid, Mohammad Share Save Comprehensive analysis of 2,5-dimethyl-1-(naphthalen-1-yl)-1H-pyrrole: H-pyrrole: X-ray crystal structure, spectral, computational, molecular properties, docking studies, molecular dynamics, and MMPBSAReeda, V. S. Jeba; Divya, P.; Ranchani, A. Amala Jeya; Manikandan, A.; Alvi, Shakeel; Ali, Rashid; Siddiqui, Nazia; Haq, Nazrul; Muthu, S.; Butcher, Ray; Javed, Saleem Share Save Synthesis, crystal structure, quantum computational, biological study, molecular docking and molecular dynamic simulations investigations on 2,2′-((1,4-phenylenebis(methylene)) bis(sulfanediyl))dianilineSangeeta, Akhilesh; Kumar, Akhilesh; Fatima, Aysha; Shahid, Mudassar; Verma, Indresh; Sharma, Prerna; Arora, Himanshu; Javed, Saleem; Sharma, Deepansh; Uttam, Bhawna; Rajput, Amit Share Save A comprehensive investigation of (E)-2,4-Dimethyl-6-(((2-(Phenylthio) phenyl)imino)methyl)phenol (2PTALD): Synthesis, crystal structure, and computational insights with molecular dynamic simulationsKumar, Manoj; Ahmad, Seraj; Reeda, V. S. Jeba; Arora, Himanshu; Shahid, Mudassar; Muthu, S.; Siddiqui, Nazia; Ali, Akram; Javed, Saleem Share Save 
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