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Pedro Ojeda May
Contact
E-mail
pedro.ojeda-may@umu.se
Phone
Works at
Affiliation
Staff scientist at
High Performance Computing Centre North (HPC2N)
Location
MIT huset, Campustorget 5, 2 tr, MIT.C.238
Umeå universitet, 901 87 Umeå
Publications
Publications
2024
Ionic liquid strategy for chitosan production from chitin and molecular insights
RSC Sustainability
, Royal Society of Medicine Press 2024, Vol. 2, (4) : 1154-1164
Dinh, Van Minh; Khokarale, Santosh Govind; Ojeda-May, Pedro; et al.
2024
Effects of colored noise in the dynamic motions and conformational exploration of enzymes
Foundations
, MDPI 2024, Vol. 4, (3) : 324-335
Ojeda-May, Pedro; Vergara, Alexander
2023
Mechanistic basis for a connection between the catalytic step and slow opening dynamics of adenylate kinase
Journal of Chemical Information and Modeling
, American Chemical Society (ACS) 2023, Vol. 63, (5) : 1556-1569
Dulko-Smith, Beata; Ojeda-May, Pedro; Ådén, Jörgen; et al.
2023
Dramatic differences between the structural susceptibility of the S1 pre- and S2 postfusion states of the SARS-CoV-2 spike protein to external electric fields revealed by molecular dynamics simulations
Viruses
, MDPI 2023, Vol. 15, (12) : 2405-2419
Lipskij, Alexander; Arbeitman, Claudia; Rojas, Pablo; et al.
2023
Exploring the dynamics of holo-shikimate kinase through molecular mechanics
Biophysica
, MDPI 2023, Vol. 3, (3) : 463-475
Ojeda-May, Pedro
2022
Exploring the dynamics of shikimate kinase through molecular mechanics
Biophysica
, MDPI 2022, Vol. 2, (3) : 194-202
Ojeda-May, Pedro
2021
The SARS-CoV-2 spike protein is vulnerable to moderate electric fields
Nature Communications
, Springer Nature 2021, Vol. 12, (1)
Arbeitman, Claudia R.; Rojas, Pablo; Ojeda-May, Pedro; et al.
2021
Best Practice Guide: Modern Accelerators
Bispo, João; Barbosa, Jorge G.; Silva, Pedro Filipe; et al.
2021
Exploring the mechanism of shikimate kinase through quantum mechanical and molecular mechanical (QM/MM) methods
Biophysica
, Basel, Switzerland: MDPI 2021, Vol. 1, (3) : 334-343
Ojeda-May, Pedro
2021
Dynamic Connection between Enzymatic Catalysis and Collective Protein Motions
Biochemistry
, American Chemical Society (ACS) 2021, Vol. 60, (28) : 2246-2258
Ojeda-May, Pedro; Ul Mushtaq, Ameeq; Rogne, Per; et al.
2018
Mapping Free Energy Pathways for ATP Hydrolysis in the E. coli ABC Transporter HlyB by the String Method
Molecules
, MDPI 2018, Vol. 23, (10) : 1-22
Zhou, Yan; Ojeda-May, Pedro; Nagaraju, Mulpuri; et al.
2017
Acceleration of Semiempirical QM/MM Methods through Message Passage Interface (MPI), Hybrid MPI/Open Multiprocessing, and Self-Consistent Field Accelerator Implementations
Journal of Chemical Theory and Computation
, Vol. 13, (8) : 3525-3536
Ojeda-May, Pedro; Nam, Kwangho
2016
Toward determining ATPase mechanism in ABC transporters
Computational approaches for studying enzyme mechanism part A
, Elsevier 2016 : 185-212
Zhou, Y.; Ojeda-May, Pedro; Nagaraju, M.; et al.
2015
Role of Protein Dynamics in Allosteric Control of the Catalytic Phosphoryl Transfer of Insulin Receptor Kinase
Journal of the American Chemical Society
, Vol. 137, (39) : 12454-12457
Ojeda-May, Pedro; Li, Yaozong; Ovchinnikov, Victor; et al.
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