Role of protein structure and the role of individual fingers in zinc finger protein–DNA recognition: a molecular dynamics simulation study and free energy calculations Mazen Y. Hamed OriginalPaper 03 May 2018 Pages: 657 - 669
A molecular dynamics investigation of CDK8/CycC and ligand binding: conformational flexibility and implication in drug discovery Timothy CholkoWei ChenChia-en A. Chang OriginalPaper 08 May 2018 Pages: 671 - 685
Molecular insight on the non-covalent interactions between carbapenems and l,d-transpeptidase 2 from Mycobacterium tuberculosis: ONIOM study Thandokuhle NtombelaZeynab FakharBahareh Honarparvar OriginalPaper 29 May 2018 Pages: 687 - 701
Touching proteins with virtual bare hands Erick Martins RatameroDom BelliniRudolf A. Römer OriginalPaper Open access 07 June 2018 Pages: 703 - 709
Prediction of partition and distribution coefficients in various solvent pairs with COSMO-RS Sofja TshepelevitshKertu HernitsIvo Leito OriginalPaper 30 May 2018 Pages: 711 - 722