Orlando Acevedo

ORCID

Publication Activity (10 Years)

Years Active: 2017-2023
Publications (10 Years): 25

Top Venues

The journal of physical chemistry. B

Biochemistry

The journal of physical chemistry letters

Journal of chemical theory and computation

University of Miami

Duquesne University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Miami

United States

Associate Professor :: Chemistry

Auburn University

United States

Assistant/Associate Professor :: Chemistry and Biochemistry

Education History

Duquesne University

United States

PHD :: Chemistry and Biochemistry

Florida International University

United States

BSC :: Chemistry

Publications

Kun Yue, Orlando Acevedo
Uncovering the Critical Factors that Enable Extractive Desulfurization of Fuels in Ionic Liquids and Deep Eutectic Solvents from Simulations. The journal of physical chemistry. B (2023)
Hesam Arabzadeh, Joseph M Sperling, Orlando Acevedo, Thomas E Albrecht Schmitt
Free Energy Calculations and Conformational Analysis of Dibenzo-30-crown-10 with Sm 2+ , Eu 2+ , and Three Halide Salts in THF Using the AMOEBA Force Field. The journal of physical chemistry. B (2023)
Shruti Somai, Kun Yue, Orlando Acevedo, Holly R Ellis
Shorter Alkanesulfonate Carbon Chains Destabilize the Active Site Architecture of SsuD for Desulfonation. Biochemistry 62 (1) (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B 126 (50) (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B (2022)
Shruti Somai, Kun Yue, Orlando Acevedo, Holly R Ellis
Shorter Alkanesulfonate Carbon Chains Destabilize the Active Site Architecture of SsuD for Desulfonation. Biochemistry (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B 126 (50) (2022)
Shruti Somai, Kun Yue, Orlando Acevedo, Holly R Ellis
Shorter Alkanesulfonate Carbon Chains Destabilize the Active Site Architecture of SsuD for Desulfonation. Biochemistry 62 (1) (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B 126 (50) (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B 126 (50) (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B 126 (50) (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B 126 (50) (2022)
Shruti Somai, Kun Yue, Orlando Acevedo, Holly R Ellis
Shorter Alkanesulfonate Carbon Chains Destabilize the Active Site Architecture of SsuD for Desulfonation. Biochemistry 62 (1) (2022)
Hesam Arabzadeh, Brandon Walker, Joseph M Sperling, Orlando Acevedo, Pengyu Ren, Wei Yang, Thomas E Albrecht Schmitt
Molecular Dynamics and Free Energy Calculations of Dicyclohexano-18-crown-6 Diastereoisomers with Sm 2+ , Eu 2+ , Dy 2+ , Yb 2+ , Cf 2+ , and Three Halide Salts in Tetrahydrofuran and Acetonitrile Using the AMOEBA Force Field. The journal of physical chemistry. B 126 (50) (2022)
Abhishek Thakur, Gaurav Sharma, Vishnu Nayak Badavath, Venkatesan Jayaprakash, Kenneth M Merz, Galia Blum, Orlando Acevedo
Primer for Designing Main Protease (M pro ) Inhibitors of SARS-CoV-2. The journal of physical chemistry letters 13 (25) (2022)
Kun Yue, Brian W Doherty, Orlando Acevedo
Comparison between Ab Initio Molecular Dynamics and OPLS-Based Force Fields for Ionic Liquid Solvent Organization. The journal of physical chemistry. B 126 (21) (2022)
Suresh Gangadevi, Vishnu Nayak Badavath, Abhishek Thakur, Na Yin, Steven De Jonghe, Orlando Acevedo, Dirk Jochmans, Pieter Leyssen, Ke Wang, Johan Neyts, Tao Yujie, Galia Blum
Kobophenol A Inhibits Binding of Host ACE2 Receptor with Spike RBD Domain of SARS-CoV-2, a Lead Compound for Blocking COVID-19. The journal of physical chemistry letters 12 (7) (2021)
Xiang Zhong, Caroline Velez, Orlando Acevedo
Partial Charges Optimized by Genetic Algorithms for Deep Eutectic Solvent Simulations. Journal of chemical theory and computation 17 (5) (2021)
Abhishek Thakur, Shruti Somai, Kun Yue, Nicole Ippolito, Dianne Pagan, Jingyuan Xiong, Holly R Ellis, Orlando Acevedo
Substrate-Dependent Mobile Loop Conformational Changes in Alkanesulfonate Monooxygenase from Accelerated Molecular Dynamics. Biochemistry 59 (38) (2020)
Abhishek Thakur, Joan M Hevel, Orlando Acevedo
Examining Product Specificity in Protein Arginine Methyltransferase 7 (PRMT7) Using Quantum and Molecular Mechanical Simulations. Journal of chemical information and modeling 59 (6) (2019)
Brian Doherty, Xiang Zhong, Orlando Acevedo
Virtual Site OPLS Force Field for Imidazolium-Based Ionic Liquids. The journal of physical chemistry. B 122 (11) (2018)
Tamar B Cáceres, Abhishek Thakur, Owen M Price, Nicole Ippolito, Jun Li, Jun Qu, Orlando Acevedo, Joan M Hevel
Phe71 in Type III Trypanosomal Protein Arginine Methyltransferase 7 (TbPRMT7) Restricts the Enzyme to Monomethylation. Biochemistry 57 (8) (2018)
Chandrani Nath, Vishnu Nayak Badavath, Abhishek Thakur, Gulberk Ucar, Orlando Acevedo, Mohd Usman Mohd Siddique, Venkatesan Jayaprakash
Curcumin-based pyrazoline analogues as selective inhibitors of human monoamine oxidase A. MedChemComm 9 (7) (2018)
Brian Doherty, Orlando Acevedo
OPLS Force Field for Choline Chloride-Based Deep Eutectic Solvents. The journal of physical chemistry. B 122 (43) (2018)
Brian Doherty, Xiang Zhong, Symon Gathiaka, Bin Li, Orlando Acevedo
Revisiting OPLS Force Field Parameters for Ionic Liquid Simulations. Journal of chemical theory and computation 13 (12) (2017)

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Publication Activity (10 Years)

Top Topics

Top Venues

Orlando Acevedo