Structural impacts of two disease-linked ADAR1 mutants: a molecular dynamics study
Huang, Wen-Chieh, Hsu, Chia-Hung, Albu, Titus V., Yang, Chia-Ning
Published in Journal of computer-aided molecular design (01.12.2024)
Published in Journal of computer-aided molecular design (01.12.2024)
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Journal Article
Efficient Molecular Mechanics for Chemical Reactions: Multiconfiguration Molecular Mechanics Using Partial Electronic Structure Hessians
Lin, Hai, Pu, Jingzhi, Albu, Titus V, Truhlar, Donald G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.05.2004)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (06.05.2004)
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Journal Article
Polyrate 2023: A computer program for the calculation of chemical reaction rates for polyatomics. New version announcement
Meana-Pañeda, Rubén, Zheng, Jingjing, Bao, Junwei Lucas, Zhang, Shuxia, Lynch, Benjamin J., Corchado, José C., Chuang, Yao-Yuan, Fast, Patton L., Hu, Wei-Ping, Liu, Yi-Ping, Lynch, Gillian C., Nguyen, Kiet A., Jackels, Charles F., Fernández-Ramos, Antonio, Ellingson, Benjamin A., Melissas, Vasilios S., Villà, Jordi, Rossi, Ivan, Coitiño, Elena L., Pu, Jingzhi, Albu, Titus V., Zhang, Rui Ming, Xu, Xuefei, Ratkiewicz, Artur, Steckler, Rozeanne, Garrett, Bruce C., Isaacson, Alan D., Truhlar, Donald G.
Published in Computer physics communications (01.01.2024)
Published in Computer physics communications (01.01.2024)
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Journal Article
Interaction with calf-thymus DNA and photoinduced cleavage of pBR322 by rhodium(III) and iridium(III) complexes containing crown thioether ligands
Kim, Jisook, Cardenal, Ashley D., Greve, Hendrik J., Chen, Weinan, Vashi, Hitesh, Grant, Gregory, Albu, Titus V.
Published in Inorganica Chimica Acta (01.01.2018)
Published in Inorganica Chimica Acta (01.01.2018)
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Journal Article
Studies on lysozyme modifications induced by substituted p-benzoquinones
Kim, Jisook, Thomas, Charles A., Ewald, Jacob M., Kurien, Neethu M., Booker, Mary E., Greve, Hendrik J., Albu, Titus V.
Published in Bioorganic chemistry (01.04.2019)
Published in Bioorganic chemistry (01.04.2019)
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Journal Article
Hybrid Density Functional Theory with Specific Reaction Parameter: Hydrogen Abstraction Reaction of Fluoromethane by the Hydroxyl Radical
Albu, Titus V, Swaminathan, Saravanan
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2006)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (22.06.2006)
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Journal Article
A comparison study on ribonuclease A modifications induced by substituted p-benzoquinones
Kim, Jisook, Albu, Titus V., Vaughn, Albert R., Kang, Sophia M., Carver, Ethan A., Stickle, Dawn M.
Published in Bioorganic chemistry (01.04.2015)
Published in Bioorganic chemistry (01.04.2015)
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Journal Article
Molecular Mechanics for Chemical Reactions: A Standard Strategy for Using Multiconfiguration Molecular Mechanics for Variational Transition State Theory with Optimized Multidimensional Tunneling
Albu, Titus V, Corchado, José C, Truhlar, Donald G
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.09.2001)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (20.09.2001)
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Journal Article
Modifications of ribonuclease A induced by p-benzoquinone
Kim, Jisook, Vaughn, Albert R., Cho, Chris, Albu, Titus V., Carver, Ethan A.
Published in Bioorganic chemistry (01.02.2012)
Published in Bioorganic chemistry (01.02.2012)
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Journal Article
The origin of shallow n-type conductivity in boron-doped diamond with H or S co-doping: Density functional theory study
Yu Cai, Zhang, Tianhou, Anderson, Alfred B., Angus, John C., Kostadinov, Lubomir N., Albu, Titus V.
Published in Diamond and related materials (01.11.2006)
Published in Diamond and related materials (01.11.2006)
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Journal Article
Conference Proceeding
Dynamics of 1,2-Hydrogen Migration in Carbenes and Ring Expansion in Cyclopropylcarbenes
Albu, Titus V, Lynch, Benjamin J, Truhlar, Donald G, Goren, Alan C, Hrovat, David A, Borden, Weston Thatcher, Moss, Robert A
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.05.2002)
Published in The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory (30.05.2002)
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Journal Article