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Z

Zhengdan Zhu

Peking University

H指数:20

被引数:1,511

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Bridging Machine Learning and Thermodynamics for Accurate pKa Prediction

桥接机器学习和热力学以实现准确的pKa预测

IF8.7

2024-07-173

OAAI

Uni-Dock: GPU-Accelerated Docking Enables Ultralarge Virtual Screening

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2023-04-2624

PRE

A retro-inverso modified peptide alleviated ovalbumin-induced asthma model by affecting glycerophospholipid and purine metabolism of immune cells

PULMONARY PHARMACOLOGY & THERAPEUTICS

IF2.8

2023-02-017

OAAI

Chemo- and Site-Selective Lysine Modification of Peptides and Proteins under Native Conditions Using the Water-Soluble Zolinium

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2022-08-2210

PRE

Halogen Bonds Exist between Noncovalent Ligands and Natural Nucleic Acids

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2022-03-1116

PRE

Site-specific protein modification by 3-n-butylphthalide in primary hepatocytes: Covalent protein adducts diminished by glutathione and N-acetylcysteine

IF5.1

2021-12-012

PRE

Discovery of chiral N-2′-aryletheryl-1′-alkoxy-ethyl substituted arylisoquinolones with anti-inflammatory activity from the nucleophilic addition reactions of the thiophenols and oxazolinium

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

IF5.9

2021-10-011

PREAI

Ligand-based approach for predicting drug targets and for virtual screening against COVID-19

BRIEFINGS IN BIOINFORMATICS

IF7.7

2021-01-1826

OAAI

Substitution Effect of the Trifluoromethyl Group on the Bioactivity in Medicinal Chemistry: Statistical Analysis and Energy Calculations

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-12-0193

PREAI

D3Targets-2019-nCoV: a webserver for predicting drug targets and for multi-target and multi-site based virtual screening against COVID-19

ACTA PHARMACEUTICA SINICA B

IF14.6

2020-07-0158

OAAI

Interaction Nature and Computational Methods for Halogen Bonding: A Perspective

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2020-05-2648

PREAI

SAMPL6 host-guest binding affinities and binding poses from spherical-coordinates-biased simulations

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

IF3.1

2020-01-2324

OAAI

A comparative study of S•••π chalcogen bonds between SF2 or SFH and C-C multiple bonds

SF2或SFH与c-c多重键之间的S·π 硫属元素键的比较研究

JOURNAL OF MOLECULAR STRUCTURE

IF4.7

2019-07-014

PREAI

Description of noncovalent interactions involving π-system with high precision: An assessment of RPA, MP2, and DFT-D methods

JOURNAL OF COMPUTATIONAL CHEMISTRY

IF4.8

2019-04-0214

PREAI

Coxsackievirus A10 atomic structure facilitating the discovery of a broad-spectrum inhibitor against human enteroviruses

IF12.5

2019-01-1528

OAAI

Cembrane-type diterpenoids from the South China Sea soft coral Sarcophyton mililatensis

ACTA PHARMACEUTICA SINICA B

IF14.6

2018-10-0142

OAAI

Sarinfacetamides A and B, Nitrogenous Diterpenoids with Tricyclo[6.3.1.01,5]dodecane Scaffold from the South China Sea Soft Coral Sarcophyton infundibuliforme

ORGANIC LETTERS

IF5

2018-04-1158

PREAI

Further New Diterpenoids as PTP1B Inhibitors from the Xisha Soft Coral Sinularia polydactyla

IF5.4

2018-03-2526

OAAI