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Zhonghua Kou Qiang Yi Xue Za Zhi = Zhonghua Kouqiang Yixue Zazhi = Chinese Journal of Stomatology|July 3, 2026
[Progress in basic research on hydrogel-based drug delivery systems for the treatment of peri-implantitis]M K Liu, Z H Zhang, L Lang, et al.Journal of Chemical Theory and Computation|February 7, 2018
Computational Alanine Scanning with Interaction Entropy for Protein-Ligand Binding Free EnergiesXiao Liu, Long Peng, Yifan Zhou, et al.Physical Chemistry Chemical Physics : PCCP|May 4, 2022
Ab initio neural network MD simulation of thermal decomposition of a high energy material CL-20/TNTLiqun Cao, Jinzhe Zeng, Bo Wang, et al.Journal of Chemical Information and Modeling|April 11, 2022
HergSPred: Accurate Classification of hERG Blockers/Nonblockers with Machine-Learning ModelsXudong Zhang, Jun Mao, Min Wei, et al.Physical Chemistry Chemical Physics : PCCP|April 14, 2025
Optimization of nanobody caplacizumab via computational designJuping Huang, Yu He, Zhenjia Gan, et al.Journal of Chemical Theory and Computation|December 9, 2015
Quantum Fragment Based ab Initio Molecular Dynamics for ProteinsJinfeng Liu, Tong Zhu, Xianwei Wang, et al.Journal of Chemical Theory and Computation|September 17, 2020
An Approach to Computing Solvent Reorganization EnergyBo Wang, Cuiyu Li, Jia Xiangyu, et al.Journal of Chemical Information and Modeling|July 12, 2021
MolGpka: A Web Server for Small Molecule pKa Prediction Using a Graph-Convolutional Neural NetworkXiaolin Pan, Hao Wang, Cuiyu Li, et al.RSC Advances|May 6, 2022
Computational analysis of hot spots and binding mechanism in the PD-1/PD-L1 interactionDading Huang, Wei Wen, Xiao Liu, et al.Journal of Computational Chemistry|February 15, 2019
BAR-based optimum adaptive steered MD for configurational samplingXiaohui Wang, Xingzhao Tu, Boming Deng, et al.Pageof 82