Pub Date : 2024-02-01DOI: 10.1016/j.chphi.2024.100509
Ashutosh Kharwar, Akanksha Mishra, Vijay Kumar Singh, A. Tiwari
{"title":"In silico approach to design new Cyclooxygenase-2 (COX-2) inhibitors based on MM/QM and ADMET analysis","authors":"Ashutosh Kharwar, Akanksha Mishra, Vijay Kumar Singh, A. Tiwari","doi":"10.1016/j.chphi.2024.100509","DOIUrl":"https://doi.org/10.1016/j.chphi.2024.100509","url":null,"abstract":"","PeriodicalId":505122,"journal":{"name":"Chemical Physics Impact","volume":"103 4","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139819635","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.chphi.2024.100503
Sanjeev Kumar, K. Kumar, Deepti Jain, Manveer Singh
{"title":"Investigation of Elastic Scattering Cross-Sections of Electron with Neon Atoms","authors":"Sanjeev Kumar, K. Kumar, Deepti Jain, Manveer Singh","doi":"10.1016/j.chphi.2024.100503","DOIUrl":"https://doi.org/10.1016/j.chphi.2024.100503","url":null,"abstract":"","PeriodicalId":505122,"journal":{"name":"Chemical Physics Impact","volume":"46 2","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140526804","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-01-01DOI: 10.1016/j.chphi.2024.100496
Pawan Gupta, Umesh Panwar, S. Singh
{"title":"Novel scaffolds identification against Mpro of SARS-CoV-2 using shape based screening and molecular simulation methods","authors":"Pawan Gupta, Umesh Panwar, S. Singh","doi":"10.1016/j.chphi.2024.100496","DOIUrl":"https://doi.org/10.1016/j.chphi.2024.100496","url":null,"abstract":"","PeriodicalId":505122,"journal":{"name":"Chemical Physics Impact","volume":"44 11","pages":""},"PeriodicalIF":0.0,"publicationDate":"2024-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139634646","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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