1. Assessment of tautomer distribution using the condensed reaction graph approach

   • T. R. Gimadiev
   • T. I. Madzhidov
   • A. Varnek

   OriginalPaper 29 January 2018 Pages: 401 - 414

   

2. Enabling the hypothesis-driven prioritization of ligand candidates in big databases: Screenlamp and its application to GPCR inhibitor discovery for invasive species control

   • Sebastian Raschka
   • Anne M. Scott
   • Leslie A. Kuhn

   OriginalPaper 30 January 2018 Pages: 415 - 433

   

3. Disruptor of telomeric silencing 1-like (DOT1L): disclosing a new class of non-nucleoside inhibitors by means of ligand-based and structure-based approaches

   • Manuela Sabatino
   • Dante Rotili
   • Rino Ragno

   OriginalPaper 15 January 2018 Pages: 435 - 458

   

4. An insight to the molecular interactions of the FDA approved HIV PR drugs against L38L↑N↑L PR mutant

   • Zainab K. Sanusi
   • Thavendran Govender
   • Bahareh Honarparvar

   OriginalPaper 03 February 2018 Pages: 459 - 471

   

5. Structure-based drug design, synthesis and biological assays of P. falciparum Atg3–Atg8 protein–protein interaction inhibitors

   • Stefania Villa
   • Laura Legnani
   • Giovanni Grazioso

   OriginalPaper 30 January 2018 Pages: 473 - 486

   

6. Impact of graphene-based nanomaterials (GBNMs) on the structural and functional conformations of hepcidin peptide

   • Krishna P. Singh
   • Lokesh Baweja
   • Shailendra K. Gupta

   OriginalPaper 03 February 2018 Pages: 487 - 496