Atomevo: a web server combining protein modelling, docking, molecular dynamic simulation and MMPBSA analysis of Candida antarctica lipase B (CalB) fusion protein

[1] Baek M(2021)Accurate prediction of protein structures and interactions using a three-track neural network Science 373 871-876

[2] DiMaio F(1995)GROMACS: a message-passing parallel molecular dynamics implementation Comput Phys Commun 91 43-56

[3] Anishchenko I(2021)AutoDock Vina 1.2.0: new docking methods, expanded force field, and python bindings J Chem Inf Model 61 3891-3898

[4] Berendsen HJC(2021)Computational assessment of Catalysts 39 W270-W277

[5] van der Spoel D(2011) lipase for biofuel production Nucleic Acids Res 596 583-589

[6] van Drunen R(2021)SwissDock, a protein-small molecule docking web service based on EADock DSS Nature 54 1951-1962

[7] Eberhardt J(2014)Highly accurate protein structure prediction with AlphaFold J Chem Inf Model 118 4503-4515

[8] Santos-Martins D(2021)g_mmpbsa—a GROMACS tool for high-throughput MM-PBSA calculations Biotechnol Bioeng 10 251-268

[9] Tillack AF(2019)Rational design of a highly efficient catalytic system for the production of PAPS from ATP and its application in the synthesis of chondroitin sulfate EcoSal plus 10 0014475-568

[10] Fatma T(1996)Disulfide bond formation in the periplasm of The Int J Supercomput Appl High Perform Comput 11 559-W447

[1] Baek M(2021)Accurate prediction of protein structures and interactions using a three-track neural network Science 373 871-876

[2] DiMaio F(1995)GROMACS: a message-passing parallel molecular dynamics implementation Comput Phys Commun 91 43-56

[3] Anishchenko I(2021)AutoDock Vina 1.2.0: new docking methods, expanded force field, and python bindings J Chem Inf Model 61 3891-3898

[4] Berendsen HJC(2021)Computational assessment of Catalysts 39 W270-W277

[5] van der Spoel D(2011) lipase for biofuel production Nucleic Acids Res 596 583-589

[6] van Drunen R(2021)SwissDock, a protein-small molecule docking web service based on EADock DSS Nature 54 1951-1962

[7] Eberhardt J(2014)Highly accurate protein structure prediction with AlphaFold J Chem Inf Model 118 4503-4515

[8] Santos-Martins D(2021)g_mmpbsa—a GROMACS tool for high-throughput MM-PBSA calculations Biotechnol Bioeng 10 251-268

[9] Tillack AF(2019)Rational design of a highly efficient catalytic system for the production of PAPS from ATP and its application in the synthesis of chondroitin sulfate EcoSal plus 10 0014475-568

[10] Fatma T(1996)Disulfide bond formation in the periplasm of The Int J Supercomput Appl High Perform Comput 11 559-W447