Using steered molecular dynamics to study the interaction between ADP and the nucleotide-binding domain of yeast Hsp70 protein Ssa1 You-Lin XueQiaoshi ZhangYoutao Song OriginalPaper 03 November 2018 Pages: 1217 - 1227
In silico fragment-mapping method: a new tool for fragment-based/structure-based drug discovery Noriyuki YamaotsuShuichi Hirono OriginalPaper 08 September 2018 Pages: 1229 - 1245
Weak interactions in furan dimers Irena Majerz OriginalPaper Open access 14 September 2018 Pages: 1247 - 1258
Parameterization of a coarse-grained model of cholesterol with point-dipole electrostatics P. SianiH. KhandeliaL. G. Dias OriginalPaper 26 September 2018 Pages: 1259 - 1271
Boosted feature selectors: a case study on prediction P-gp inhibitors and substrates Gonzalo Cerruela GarcíaNicolás García-Pedrajas OriginalPaper 26 October 2018 Pages: 1273 - 1294
Investigating cyclic peptides inhibiting CD2–CD58 interactions through molecular dynamics and molecular docking methods Laurence LeherteAxel PetitAdèle D. Laurent OriginalPaper 28 October 2018 Pages: 1295 - 1313
