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Pradhan, Rojalin, Panigrahi, Sibarama, Sahu, Prabhat K. (2023) Conformational Search for the Building Block of Proteins Based on the Gradient Gravitational Search Algorithm (ConfGGS) Using Force Fields: CHARMM, AMBER, and OPLS-AA. Journal of Chemical Information and Modeling, 63 (2) 670-690 doi:10.1021/acs.jcim.2c01398

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Reference TypeJournal (article/letter/editorial)
TitleConformational Search for the Building Block of Proteins Based on the Gradient Gravitational Search Algorithm (ConfGGS) Using Force Fields: CHARMM, AMBER, and OPLS-AA
JournalJournal of Chemical Information and Modeling
AuthorsPradhan, RojalinAuthor
Panigrahi, SibaramaAuthor
Sahu, Prabhat K.Author
Year2023 (January 23)Volume63
Issue2
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jcim.2c01398Search in ResearchGate
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Mindat Ref. ID15679539Long-form Identifiermindat:1:5:15679539:7
GUID0
Full ReferencePradhan, Rojalin, Panigrahi, Sibarama, Sahu, Prabhat K. (2023) Conformational Search for the Building Block of Proteins Based on the Gradient Gravitational Search Algorithm (ConfGGS) Using Force Fields: CHARMM, AMBER, and OPLS-AA. Journal of Chemical Information and Modeling, 63 (2) 670-690 doi:10.1021/acs.jcim.2c01398
Plain TextPradhan, Rojalin, Panigrahi, Sibarama, Sahu, Prabhat K. (2023) Conformational Search for the Building Block of Proteins Based on the Gradient Gravitational Search Algorithm (ConfGGS) Using Force Fields: CHARMM, AMBER, and OPLS-AA. Journal of Chemical Information and Modeling, 63 (2) 670-690 doi:10.1021/acs.jcim.2c01398
In(2023, January) Journal of Chemical Information and Modeling Vol. 63 (2) American Chemical Society (ACS)

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Pradhan, Rojalin, Panigrahi, Sibarama, Sahu, Prabhat K. (2022) Implementation of gradient gravitational search algorithm towards conformational search. Computational and Theoretical Chemistry, 1208. 113550pp. doi:10.1016/j.comptc.2021.113550
Smith, Micholas Dean, Rao, J. Srinivasa, Segelken, Elizabeth, Cruz, Luis (2015) Force-Field Induced Bias in the Structure of Aβ21–30: A Comparison of OPLS, AMBER, CHARMM, and GROMOS Force Fields. Journal of Chemical Information and Modeling, 55 (12) 2587-2595 doi:10.1021/acs.jcim.5b00308
Dash, Tirtharaj, Sahu, Prabhat K. (2015) Gradient gravitational search: An efficient metaheuristic algorithm for global optimization. Journal of Computational Chemistry, 36 (14). 1060-1068 doi:10.1002/jcc.23891
Mu, , Kosov, Daniil S., Stock, Gerhard (2003) Conformational Dynamics of Trialanine in Water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS Force Fields to NMR and Infrared Experiments. The Journal of Physical Chemistry B, 107 (21). 5064-5073 doi:10.1021/jp022445a
Zhu, Shun (2019) Validation of the Generalized Force Fields GAFF, CGenFF, OPLS-AA, and PRODRGFF by Testing Against Experimental Osmotic Coefficient Data for Small Drug-Like Molecules. Journal of Chemical Information and Modeling, 59 (10) 4239-4247 doi:10.1021/acs.jcim.9b00552
Prusty, Sangram; Brüschweiler, Rafael; Cui, Qiang (2025) Comparative Analysis of Polarizable and Nonpolarizable CHARMM Family Force Fields for Proteins with Flexible Loops and High Charge Density. Journal of Chemical Information and Modeling, 65 (15). doi:10.1021/acs.jcim.5c01328
Lin, Fang-Yu, MacKerell, Alexander D. (2019) Improved Modeling of Halogenated Ligand–Protein Interactions Using the Drude Polarizable and CHARMM Additive Empirical Force Fields. Journal of Chemical Information and Modeling, 59 (1) 215-228 doi:10.1021/acs.jcim.8b00616
Chakravorty, Arghya, Hussain, Azam, Cervantes, Luis F., Lai, Thanh T., Brooks, Charles L. (2024) Exploring the Limits of the Generalized CHARMM and AMBER Force Fields through Predictions of Hydration Free Energy of Small Molecules. Journal of Chemical Information and Modeling, 64 (10) 4089-4101 doi:10.1021/acs.jcim.4c00126
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Wacha, András F., Lemkul, Justin A. (2023) charmm2gmx: An Automated Method to Port the CHARMM Additive Force Field to GROMACS. Journal of Chemical Information and Modeling, 63 (14) American Chemical Society (ACS) 4246-4252 doi:10.1021/acs.jcim.3c00860
 
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