1. Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models

   • Samuel Genheden

   OriginalPaper Open access 05 September 2017 Pages: 867 - 876

   

2. In silico probing and biological evaluation of SETDB1/ESET-targeted novel compounds that reduce tri-methylated histone H3K9 (H3K9me3) level

   • Insun Park
   • Yu Jin Hwang
   • Ae Nim Pae

   OriginalPaper 06 September 2017 Pages: 877 - 889

   

3. Co-operative intra-protein structural response due to protein–protein complexation revealed through thermodynamic quantification: study of MDM2-p53 binding

   • Sudipta Samanta
   • Sanchita Mukherjee

   OriginalPaper 04 September 2017 Pages: 891 - 903

   

4. Computational design of bio-inspired carnosine-based HOBr antioxidants

   • Farzaneh Sarrami
   • Li-Juan Yu
   • Amir Karton

   OriginalPaper 08 September 2017 Pages: 905 - 913

   

5. Structural rationale for the cross-resistance of tumor cells bearing the A399V variant of elongation factor eEF1A1 to the structurally unrelated didemnin B, ternatin, nannocystin A and ansatrienin B

   • Pedro A. Sánchez-Murcia
   • Álvaro Cortés-Cabrera
   • Federico Gago

   OriginalPaper 12 September 2017 Pages: 915 - 928

   

6. Discovery of non-peptidic small molecule inhibitors of cyclophilin D as neuroprotective agents in Aβ-induced mitochondrial dysfunction

   • Insun Park
   • Ashwini M. Londhe
   • Ae Nim Pae

   OriginalPaper 14 September 2017 Pages: 929 - 941

   

7. Convex-PL: a novel knowledge-based potential for protein-ligand interactions deduced from structural databases using convex optimization

   • Maria Kadukova
   • Sergei Grudinin

   OriginalPaper 18 September 2017 Pages: 943 - 958