Author of the publication

Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2.

, , , and . J. Comput. Chem., 37 (19): 1801-1809 (2016)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Applications of High Performance Computing: Born-Oppenheimer Molecular Dynamics of Complex Formation in Aqueous Solutions., , , and . Supercomput. Front. Innov., 5 (3): 70-73 (2018)Large-Scale Prediction of the ARS Family Inhibitors of the Oncogenic KRASG12C Mutant., , and . LSSC, volume 11958 of Lecture Notes in Computer Science, page 348-355. Springer, (2019)On Quantum Chemistry Code Adaptation for RSC PetaStream Architecture., , and . ISC, volume 9137 of Lecture Notes in Computer Science, page 113-121. Springer, (2015)Methodological aspects of QM/MM calculations: A case study on matrix metalloproteinase-2., , , and . J. Comput. Chem., 37 (19): 1801-1809 (2016)Mechanism of proteolysis in matrix metalloproteinase-2 revealed by QM/MM modeling., , , and . J. Comput. Chem., 36 (21): 1621-1630 (2015)Keto-enol tautomerism from the electron delocalization perspective., , , and . J. Comput. Chem., 43 (15): 1000-1010 (2022)Interplay between the Enamine and Imine Forms of the Hydrolyzed Imipenem in the Active Sites of Metallo-β-lactamases and in Water Solution., and . J. Chem. Inf. Model., 62 (24): 6519-6529 (2022)Computational Characterization of the Substrate Activation in the Active Site of SARS-CoV-2 Main Protease., , and . Supercomput. Front. Innov., (2020)Modeling Spectral Tuning in Red Fluorescent Proteins Using the Dipole Moment Variation upon Excitation., , and . J. Chem. Inf. Model., 61 (10): 5125-5132 (2021)Light-Induced Change of Arginine Conformation Modulates the Rate of Adenosine Triphosphate to Cyclic Adenosine Monophosphate Conversion in the Optogenetic System Containing Photoactivated Adenylyl Cyclase., , and . J. Chem. Inf. Model., 61 (3): 1215-1225 (2021)