Pedro Ojeda May

Kontakt

pedro.ojeda-may@umu.se

Verksam som

Staff scientist vid Högpresterande beräkningscentrum Norr (HPC2N)

MIT huset, Campustorget 5, 2 tr, MIT.C.238 Umeå universitet, 901 87 Umeå

Publikationer Publikationer

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.

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

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.

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.

Exploring the dynamics of holo-shikimate kinase through molecular mechanics

Biophysica, MDPI 2023, Vol. 3, (3) : 463-475

Ojeda-May, Pedro

Exploring the dynamics of shikimate kinase through molecular mechanics

Biophysica, MDPI 2022, Vol. 2, (3) : 194-202

Ojeda-May, Pedro

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.

Best Practice Guide: Modern Accelerators

Bispo, João; Barbosa, Jorge G.; Silva, Pedro Filipe; et al.

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

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.

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.

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

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.

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.

Comparison of three autoencoder-based models using molecular dynamics (MD) simulations data

Ojeda-May, Pedro

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