Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds? Dilyana DimovaJürgen Bajorath OriginalPaper 16 June 2017 Pages: 603 - 608
A critical assessment of finite element modeling approach for protein dynamics Giseok YunJaehoon KimDo-Nyun Kim OriginalPaper 01 June 2017 Pages: 609 - 624
Multiple receptor-ligand based pharmacophore modeling and molecular docking to screen the selective inhibitors of matrix metalloproteinase-9 from natural products Qi GaoYijun WangJi Zhang OriginalPaper 16 June 2017 Pages: 625 - 641
Structural insight into the role of Gln293Met mutation on the Peloruside A/Laulimalide association with αβ-tubulin from molecular dynamics simulations, binding free energy calculations and weak interactions analysis Matías A. ZúñigaJoel B. AldereteVerónica A. Jiménez OriginalPaper 09 June 2017 Pages: 643 - 652
GalaxyDock BP2 score: a hybrid scoring function for accurate protein–ligand docking Minkyung BaekWoong-Hee ShinChaok Seok OriginalPaper 16 June 2017 Pages: 653 - 666
ExcelAutomat: a tool for systematic processing of files as applied to quantum chemical calculations Jalal Z. A. LalooNassirah LalooPonnadurai Ramasami OriginalPaper 17 June 2017 Pages: 667 - 673
New insights into human farnesyl pyrophosphate synthase inhibition by second-generation bisphosphonate drugs D. FernándezR. RamisJ. Frau OriginalPaper 19 June 2017 Pages: 675 - 688