Showing results (1771-1780 of 5,933) with videos related to
Sort By:
Pageof 594
Journal of Computational Chemistry|June 24, 2015
Hydrogen bond-aromaticity cooperativity in self-assembling 4-pyridone chainsMegha Anand, Israel Fernández, Henry F Schaefer, et al.Journal of Computational Chemistry|May 16, 2015
GAMPMS: Genetic algorithm managed peptide mutant screeningThomas Long, Owen M McDougal, Tim AndersenJournal of Computational Chemistry|May 16, 2015
Calculation of the stability of nonperiodic solids using classical force fields and the method of increments: N2O as an exampleCarsten Müller, Daniel SpångbergJournal of Computational Chemistry|July 8, 2015
A theoretical study of imine hydrocyanation catalyzed by halogen-bondingNorah Heinz, Michael Dolg, Albrecht BerkesselJournal of Computational Chemistry|June 9, 2015
Multiscale enhanced sampling of intrinsically disordered protein conformationsKuo Hao Lee, Jianhan ChenJournal of Computational Chemistry|June 9, 2020
Conformational and electronic study of dopamine interacting with the D2 dopamine receptorRodrigo D Tosso, Oscar Parravicini, M Natalia C Zarycz, et al.Journal of Computational Chemistry|August 17, 2021
Pseudopotentials for coarse-grained cross-link-assisted modeling of protein structuresMateusz Kogut, Zhou Gong, Chun Tang, et al.Journal of Computational Chemistry|August 16, 2021
Mean force based temperature accelerated sliced sampling: Efficient reconstruction of high dimensional free energy landscapesAsit Pal, Subhendu Pal, Shivani Verma, et al.Journal of Computational Chemistry|May 15, 2020
Efficient computation of free energy surfaces of chemical reactions using ab initio molecular dynamics with hybrid functionals and plane wavesSagarmoy Mandal, Nisanth N NairJournal of Computational Chemistry|May 6, 2020
A self-consistent coulomb bath model using density fittingXin Chen, Zexing Qu, Bingbing Suo, et al.Pageof 594