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Journal of Computational Chemistry|February 23, 2017
Prediction on dielectric strength and boiling point of gaseous molecules for replacement of SF6Xiaojuan Yu, Hua Hou, Baoshan WangJournal of Computational Chemistry|March 16, 2017
Theoretical approaches for predicting the color of rigid dyes in solutionStefania Di Tommaso, Diane Bousquet, Delphine Moulin, et al.Journal of Computational Chemistry|February 14, 2017
Common folding processes of mini-proteins: Partial formations of secondary structures initiate the immediate protein foldingRyuhei Harada, Yu Takano, Yasuteru ShigetaJournal of Computational Chemistry|March 16, 2017
FFLUX: Transferability of polarizable machine-learned electrostatics in peptide chainsTimothy L Fletcher, Paul L A PopelierJournal of Computational Chemistry|February 18, 2017
A multipolar approach to the interatomic covalent interaction energyEvelio Francisco, Daniel Menéndez Crespo, Aurora Costales, et al.Journal of Computational Chemistry|August 22, 2019
Solvation Free Energy Calculations: The Combination between the Implicitly Polarized Fixed-charge Model and the Reference Potential StrategyXiangyu JiaJournal of Computational Chemistry|August 15, 2019
Taba: A Tool to Analyze the Binding AffinityAmauri Duarte da Silva, Gabriela Bitencourt-Ferreira, Walter Filgueira de AzevedoJournal of Computational Chemistry|August 21, 2019
Molecular dynamics study of solubilization of cyclohexane, benzene, and phenol into mixed micelles composed of sodium dodecyl sulfate and octaethylene glycol monododecyl etherKosuke Takeda, Kazushi Fujimoto, Noriyuki Yoshii, et al.Journal of Computational Chemistry|April 4, 2019
Combining the biased and unbiased sampling strategy into one convenient free energy calculation methodHaomiao Zhang, Qiankun Gong, Haozhe Zhang, et al.Journal of Computational Chemistry|August 20, 2019
GalaxyDock3: Protein-ligand docking that considers the full ligand conformational flexibilityJinsol Yang, Minkyung Baek, Chaok SeokPageof 598