Vote for your favorite mineral in #MinCup25! - Baryte vs. Hematite
It's a heavyweight match between industrial powerhouses as soft #baryte competes against rusty red #hematite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Hasan, Md Nazmul, Ray, Manisha, Saha, Arjun (2023) Landscape of In Silico Tools for Modeling Covalent Modification of Proteins: A Review on Computational Covalent Drug Discovery. The Journal of Physical Chemistry B, 127 (45) 9663-9684 doi:10.1021/acs.jpcb.3c04710

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleLandscape of In Silico Tools for Modeling Covalent Modification of Proteins: A Review on Computational Covalent Drug Discovery
JournalThe Journal of Physical Chemistry B
AuthorsHasan, Md NazmulAuthor
Ray, ManishaAuthor
Saha, ArjunAuthor
Year2023 (November 16)Volume127
Issue45
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpcb.3c04710Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID16944497Long-form Identifiermindat:1:5:16944497:8
GUID0
Full ReferenceHasan, Md Nazmul, Ray, Manisha, Saha, Arjun (2023) Landscape of In Silico Tools for Modeling Covalent Modification of Proteins: A Review on Computational Covalent Drug Discovery. The Journal of Physical Chemistry B, 127 (45) 9663-9684 doi:10.1021/acs.jpcb.3c04710
Plain TextHasan, Md Nazmul, Ray, Manisha, Saha, Arjun (2023) Landscape of In Silico Tools for Modeling Covalent Modification of Proteins: A Review on Computational Covalent Drug Discovery. The Journal of Physical Chemistry B, 127 (45) 9663-9684 doi:10.1021/acs.jpcb.3c04710
In(2023, November) The Journal of Physical Chemistry B Vol. 127 (45) American Chemical Society (ACS)

See Also

These are possibly similar items as determined by title/reference text matching only.

Zhou, Jiao; Liu, Xiang; Xu, Yan; Wang, Juan; Qian, Tingli; Sang, Xiaohong; Hasan, Md Nazmul; Warshel, Arieh; An, Jing; Saha, Arjun; et al. (2025) Computational and Experimental Study of the Conformational Variation of the Catalytic Residue His41 of the SARS-CoV-2 Main Protease. The Journal of Physical Chemistry B, 129 (21). doi:10.1021/acs.jpcb.5c01718
Ray, Manisha, Sayeed, Aryana, Ganshert, Madeline, Saha, Arjun (2024) Direct Binding Methods to Measure Receptor–Ligand Interactions. The Journal of Physical Chemistry B, 128 (1) 3-19 doi:10.1021/acs.jpcb.3c05041
Wang, Zhao (2023) Trapping Molecules in a Covalent Graphene–Nanotube Hybrid. The Journal of Physical Chemistry B, 127 (27) American Chemical Society (ACS) 6227-6231 doi:10.1021/acs.jpcb.3c03132
Owhoso, Fiki V., Modak, Sanat V., Saha, Partha, Kwabi, David G. (2023) Effect of Covalent Modification on Proton-Coupled Electron Transfer at Quinone-Functionalized Carbon Electrodes. The Journal of Physical Chemistry C, 127 (6) 3165-3175 doi:10.1021/acs.jpcc.2c06356
Thomas, Jisha Mary, Thomas, Renjith (2023) Study of Non-Covalent Interactions Present in the Tapinarof–Ethanol System with Special Emphasis on Hydrogen-Bonding Interactions. The Journal of Physical Chemistry B, 127 (26) 5933-5940 doi:10.1021/acs.jpcb.3c03152
Zaman, Naila, Azam, Syed Sikander (2023) Discrete Dynamics of Warhead Modulation on Covalent Inhibition of Oxyr: A QM/MM Study. The Journal of Physical Chemistry B, 127 (27) American Chemical Society (ACS) 5993-6005 doi:10.1021/acs.jpcb.2c07376
Sarsa, Antonio, Alcaraz-Pelegrina, José M., Le Sech, Claude (2015) Isotopic Effects on Covalent Bond Confined in a Penetrable Sphere. The Journal of Physical Chemistry B, 119 (45). 14364-14372 doi:10.1021/acs.jpcb.5b06758
Hecht, David, Fogel, Gary B. (2009) A Novel In Silico Approach to Drug Discovery via Computational Intelligence. Journal of Chemical Information and Modeling, 49 (4) 1105-1121 doi:10.1021/ci9000647
Farag, Hossam, Peters, Baron (2023) Engulfment Avalanches and Thermal Hysteresis for Antifreeze Proteins on Supercooled Ice. The Journal of Physical Chemistry B, 127 (24) 5422-5431 doi:10.1021/acs.jpcb.3c01089
Wang, Dali, Zhang, Xinyue, Zhu, Xinyuan (2023) Drug-Grafted DNA for Cancer Therapy. The Journal of Physical Chemistry B, 127 (24) 5379-5388 doi:10.1021/acs.jpcb.3c01321
Ray, Manisha, Saha, Arjun, Raghavachari, Krishnan (2016) Hydrogen evolution from water using Mo–oxide clusters in the gas phase: DFT modeling of a complete catalytic cycle using a Mo2O4−/Mo2O5− cluster couple. Physical Chemistry Chemical Physics, 18 (36). 25687-25692 doi:10.1039/c6cp04259g
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 19, 2025 01:50:57
Go to top of page