Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide Michio IwaokaToshiki SuzukiHiroshi Hirota OriginalPaper 17 November 2017 Pages: 1039 - 1052
Discovery of small molecules binding to the normal conformation of prion by combining virtual screening and multiple biological activity evaluation methods Lanlan LiWei WeiXiaojun Yao OriginalPaper 20 November 2017 Pages: 1053 - 1062
Structure and dynamics of mesophilic variants from the homing endonuclease I-DmoI Josephine AlbaMaria Jose MarcaidaMarco D’Abramo OriginalPaper 25 November 2017 Pages: 1063 - 1072
Bioactive focus in conformational ensembles: a pluralistic approach Matthew Habgood OriginalPaper 30 November 2017 Pages: 1073 - 1083
Learning epistatic interactions from sequence-activity data to predict enantioselectivity Julian ZauggYosephine GumulyaMikael Bodén OriginalPaper 12 December 2017 Pages: 1085 - 1096
Atomistic computer simulations on multi-loaded PAMAM dendrimers: a comparison of amine- and hydroxyl-terminated dendrimers Farideh Badalkhani-KhamsehAzadeh Ebrahim-HabibiNasser L. Hadipour OriginalPaper 19 December 2017 Pages: 1097 - 1111