Kaifang Huang

east china normal university

9H指数

21论文数

466被引数

收录论文 11

发表时间

Accurate and Efficient Calculation of Protein–Ligand Interaction Energies Using an Electrostatically Embedded Fragmentation Method

Journal of Chemical Theory and Computation

IF5.5

2026-01-26

PREAI

Yingfeng Zhang; Wei Xia; Kaifang Huang; Jin Xiao; John Z. H. Zhang

Significantly enhancing human antibody affinity via deep learning and computational biology-guided single-point mutations 通过深度学习和计算生物学指导的单点突变显著增强人抗体亲和力

Briefings in Bioinformatics

IF7.7

2025-09-01

OAAI

Junxin Li; Chao Zhang; Wei Xia; Hei Wun Kan; Kaifang Huang; Sai Li; Mark Akinola Ige; Qiuliyang Yu; Jiawei Zhao; Xiaochun Wan; John Z H Zhang; Haiping Zhang

Discovery of Novel Cytochrome bd Oxidase Inhibitors against Mycobacterium tuberculosis 新型细胞色素bd氧化酶抑制剂的发现及其对结核分枝杆菌的作用

European Journal of Medicinal Chemistry

IF5.9

2025-07-26

PREAI

Xue Wu; Xu Zhang; Wei Xia; Yu Zhang; Kaifang Huang; Fanyu Zhao; Changge Ji; Jian Wang; Bing Zhou; John.Z.H. Zhang

Protein solvation: Site-specific hydrophilicity, hydrophobicity, counter ions, and interaction entropy

JOURNAL OF CHEMICAL PHYSICS

IF3.1

2025-03-21

PREAI

Zhang, Chao; Huang, Kaifang; Zhang, John Z. H.

From Implicit to Explicit: An Interaction-Reorganization Approach to Molecular Solvation Energy

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2024-12-13

OAAI

Huang, Kaifang; Duan, Lili; Zhang, John Z. H.

Development and experimental validation of computational methods for human antibody affinity enhancement 人类抗体亲和力增强计算方法的开发和实验验证

BRIEFINGS IN BIOINFORMATICS

IF7.7

2024-10-02

OAAI

Li, Junxin; Liao, Linbu; Zhang, Chao; Huang, Kaifang; Zhang, Pengfei; Zhang, John Z. H.; Wan, Xiaochun; Zhang, Haiping

Investigating effects of bridging water on the binding of neuraminidase-ligands using computational alanine scanning combined with interaction entropy method

JOURNAL OF MOLECULAR LIQUIDS

IF5.2

2021-08-01

PREAI

Lv, Yuxi; Luo, Song; Huang, Kaifang; Wang, Han; Dong, Shuheng; Cong, Yalong; Zhang, John Z. H.; Duan, Lili

Targeting mechanism for SARS-CoV-2 in silico: interaction and key groups of TMPRSS2 toward four potential drugs

NANOSCALE

IF5.1

2021-01-01

PREAI

Zhao, Xiaoyu; Luo, Song; Huang, Kaifang; Xiong, Danyang; Zhang, John Z. H.; Duan, Lili

Inhibition mechanism and hot-spot prediction of nine potential drugs for SARS-CoV-2 Mpro by large-scale molecular dynamic simulations combined with accurate binding free energy calculations

NANOSCALE

IF5.1

2021-01-01

PREAI

Luo, Song; Huang, Kaifang; Zhao, Xiaoyu; Cong, Yalong; Zhang, John Z. H.; Duan, Lili

An accurate free energy estimator: based on MM/PBSA combined with interaction entropy for protein-ligand binding affinity

NANOSCALE

IF5.1

2020-01-01

110

PREAI

Huang, Kaifang; Luo, Song; Cong, Yalong; Zhong, Susu; Zhang, John Z. H.; Duan, Lili

Entropic effect and residue specific entropic contribution to the cooperativity in streptavidin-biotin binding

NANOSCALE

IF5.1

2020-01-01

PREAI

Cong, Yalong; Huang, Kaifang; Li, Yucheng; Zhong, Susu; Zhang, John Z. H.; Duan, Lili

研究方向