Showing results (2711-2720 of 5,977) with videos related to
Sort By:
Pageof 598
Journal of Computational Chemistry|October 14, 2016
Variation of free-energy landscape of the p53 C-terminal domain induced by acetylation: Enhanced conformational samplingShinji Iida, Tadaaki Mashimo, Takashi Kurosawa, et al.Journal of Computational Chemistry|May 13, 2014
Site-directed analysis on protein hydrophobicitySong-Ho Chong, Sihyun HamJournal of Computational Chemistry|March 1, 2008
The generalized Born/volume integral implicit solvent model: estimation of the free energy of hydration using London dispersion instead of atomic surface areaPaul LabuteJournal of Computational Chemistry|March 1, 2008
Basis set dependence of solute-solvent interaction energy of benzene in water: a HF/DFT studyLaban Bondesson, Elias Rudberg, Yi Luo, et al.Journal of Computational Chemistry|September 14, 2019
Exploring Nature and Predicting Strength of Hydrogen Bonds: A Correlation Analysis Between Atoms-in-Molecules Descriptors, Binding Energies, and Energy Components of Symmetry-Adapted Perturbation TheorySaeedreza Emamian, Tian Lu, Holger Kruse, et al.Journal of Computational Chemistry|April 30, 2015
Ab initio ground-state potential energy function and vibration-rotation energy levels of imidogen, NHJacek KoputJournal of Computational Chemistry|April 10, 2020
Surface-enhanced Raman scattering of M2 -pyrazine-M2 (M = Cu, Ag, Au): Analysis by natural perturbation orbitals and density functional theory functional dependenceMasaya Miyamoto, Masahiko HadaJournal of Computational Chemistry|October 26, 2019
Drude polarizable force field for cation-π interactions of alkali and quaternary ammonium ions with aromatic amino acid side chainsEsam A Orabi, Rebecca L Davis, Guillaume LamoureuxJournal of Computational Chemistry|October 24, 2019
Recognizing five molecular ligand-binding sites with similar chemical structureXiuzhen Hu, Riletu Ge, Zhenxing FengJournal of Computational Chemistry|October 25, 2019
DFT/MRCI assessment of the excited-state interplay in a coumarin-schiff Mg2+ fluorescent sensorXimena Zarate, Angela Rodriguez-Serrano, Eduardo Schott, et al.Pageof 598