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Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 22, 2026
Toward Automatic Derivation of Geometry-Based Descriptors as Surrogates for Complex Computational Approaches in Enzyme-Substrate Prediction
Carlos Sequeiros-Borja, Petr Škoda, Jan Brezovsky
Methodsx
|
December 30, 2022
Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations
Carlos Sequeiros-Borja, Bartlomiej Surpeta, Igor Marchlewski, et al.
Journal of Chemical Information and Modeling
|
April 26, 2024
Water will Find Its Way: Transport through Narrow Tunnels in Hydrolases
Carlos Sequeiros-Borja, Bartlomiej Surpeta, Aravind Selvaram Thirunavukarasu, et al.
Journal of Chemical Theory and Computation
|
January 2, 2026
Unlocking High-Throughput Investigation of Transport Tunnels in Enzymes Using Coarse-Grained Simulation Methods
Nishita Mandal, Jan A Stevens, Adolfo B Poma, et al.
Journal of Chemical Information and Modeling
|
November 11, 2025
EasyHybrid: An Interactive Graphical Environment for Quantum, Classical and Hybrid Simulations with pDynamo3
Jose Fernando R Bachega, Gustavo Hagen, Carlos Sequeiros-Borja, et al.
Cellular and Molecular Life Sciences : CMLS
|
March 23, 2023
Restriction of access to the central cavity is a major contributor to substrate selectivity in plant ABCG transporters
Konrad Pakuła, Carlos Sequeiros-Borja, Wanda Biała-Leonhard, et al.
Scientific Reports
|
July 30, 2017
Observed crowding effects on Mycobacterium tuberculosis 2-trans-enoyl-ACP (CoA) reductase enzyme activity are not due to excluded volume only
Mariane Rotta, Luis F S M Timmers, Carlos Sequeiros-Borja, et al.
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Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
March 22, 2026
Toward Automatic Derivation of Geometry-Based Descriptors as Surrogates for Complex Computational Approaches in Enzyme-Substrate Prediction
Carlos Sequeiros-Borja, Petr Škoda, Jan Brezovsky
Methodsx
|
December 30, 2022
Divide-and-conquer approach to study protein tunnels in long molecular dynamics simulations
Carlos Sequeiros-Borja, Bartlomiej Surpeta, Igor Marchlewski, et al.
Journal of Chemical Information and Modeling
|
April 26, 2024
Water will Find Its Way: Transport through Narrow Tunnels in Hydrolases
Carlos Sequeiros-Borja, Bartlomiej Surpeta, Aravind Selvaram Thirunavukarasu, et al.
Journal of Chemical Theory and Computation
|
January 2, 2026
Unlocking High-Throughput Investigation of Transport Tunnels in Enzymes Using Coarse-Grained Simulation Methods
Nishita Mandal, Jan A Stevens, Adolfo B Poma, et al.
Journal of Chemical Information and Modeling
|
November 11, 2025
EasyHybrid: An Interactive Graphical Environment for Quantum, Classical and Hybrid Simulations with pDynamo3
Jose Fernando R Bachega, Gustavo Hagen, Carlos Sequeiros-Borja, et al.
Cellular and Molecular Life Sciences : CMLS
|
March 23, 2023
Restriction of access to the central cavity is a major contributor to substrate selectivity in plant ABCG transporters
Konrad Pakuła, Carlos Sequeiros-Borja, Wanda Biała-Leonhard, et al.
Scientific Reports
|
July 30, 2017
Observed crowding effects on Mycobacterium tuberculosis 2-trans-enoyl-ACP (CoA) reductase enzyme activity are not due to excluded volume only
Mariane Rotta, Luis F S M Timmers, Carlos Sequeiros-Borja, et al.
Page
of 1