| Title : Water will Find Its Way: Transport through Narrow Tunnels in Hydrolases - Sequeiros-Borja_2024_J.Chem.Inf.Model__ |
| Author(s) : Sequeiros-Borja C , Surpeta B , Thirunavukarasu AS , Dongmo Foumthuim CJ , Marchlewski I , Brezovsky J |
| Ref : J Chem Inf Model , : , 2024 |
| Abstract : |
| PubMedSearch : Sequeiros-Borja_2024_J.Chem.Inf.Model__ |
| PubMedID: 38669675 |
| Gene_locus related to this paper: canru-1lipa , rhoso-halo1 , soltu-3epoxy , human-EPHX2 |
| Title : Reinforcing Tunnel Network Exploration in Proteins Using Gaussian Accelerated Molecular Dynamics - Mandal_2024_J.Chem.Inf.Model__ |
| Author(s) : Mandal N , Surpeta B , Brezovsky J |
| Ref : J Chem Inf Model , : , 2024 |
| Abstract : |
| PubMedSearch : Mandal_2024_J.Chem.Inf.Model__ |
| PubMedID: 39143923 |
| Title : Incorporating Prior Knowledge in the Seeds of Adaptive Sampling Molecular Dynamics Simulations of Ligand Transport in Enzymes with Buried Active Sites - Sarkar_2024_J.Chem.Theory.Comput__ |
| Author(s) : Sarkar DK , Surpeta B , Brezovsky J |
| Ref : J Chem Theory Comput , : , 2024 |
| Abstract : |
| PubMedSearch : Sarkar_2024_J.Chem.Theory.Comput__ |
| PubMedID: 38978395 |