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Journal of Computational Chemistry|July 19, 2017
GENESIS 1.1: A hybrid-parallel molecular dynamics simulator with enhanced sampling algorithms on multiple computational platformsChigusa Kobayashi, Jaewoon Jung, Yasuhiro Matsunaga, et al.Journal of Computational Chemistry|July 19, 2017
Formation of Stone-Wales edge: Multistep reconstruction and growth mechanisms of zigzag nanographeneJing-Shuang Dang, Wei-Wei Wang, Jia-Jia Zheng, et al.Journal of Computational Chemistry|November 9, 2017
Hyperconjugative effects in π-hydrogen bonding: Theory and experimentBoris Galabov, Valia Nikolova, Diana Cheshmedzhieva, et al.Journal of Computational Chemistry|October 26, 2017
Development of a Flexible-Monomer Two-Body Carbon Dioxide Potential and Its Application to Clusters up to (CO2 )13Olaseni Sode, Jasmine N CherryJournal of Computational Chemistry|November 12, 2017
Breaking the polar-nonpolar division in solvation free energy predictionBao Wang, Chengzhang Wang, Kedi Wu, et al.Journal of Computational Chemistry|November 11, 2017
Molecular dynamics simulation of liquid water and ice nanoclusters using a new effective HFD-like modelMohsen Abbaspour, Hamed Akbarzadeh, Sirous Salemi, et al.Journal of Computational Chemistry|October 13, 2017
Parameterization of the GPR119 Receptor Agonist AR231453John Hamilton, Evangelia KotsikorouJournal of Computational Chemistry|August 24, 2017
Noncovalent interactions between cisplatin and graphene prototypesMa Del Refugio Cuevas-Flores, Marco Antonio Garcia-Revilla, Massimiliano BartolomeiJournal of Computational Chemistry|August 24, 2017
Canonical orbital contributions to the magnetic fields induced by global and local diatropic and paratropic ring currentsNickolas D Charistos, Anastasios G Papadopoulos, Thomas A Nikopoulos, et al.Journal of Computational Chemistry|September 24, 2017
Customizable de novo design strategies for DOCK: Application to HIVgp41 and other therapeutic targetsWilliam J Allen, Brian C Fochtman, Trent E Balius, et al.Pageof 598