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Physical Chemistry Chemical Physics : PCCP
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June 2, 2017
Direct folding simulation of helical proteins using an effective polarizable bond force field
Lili Duan, Tong Zhu, Changge Ji, et al.
Journal of Chemical Information and Modeling
|
May 10, 2024
FragGrow: A Web Server for Structure-Based Drug Design by Fragment Growing within Constraints
Yueqing Zhang, Zhihan Zhang, Dongliang Ke, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 18, 2014
Ruthenium(II)/chiral Brønsted acid co-catalyzed enantioselective four-component reaction/cascade aza-Michael addition for efficient construction of 1,3,4-tetrasubstituted tetrahydroisoquinolines
Jun Jiang, Xiaochu Ma, Changge Ji, et al.
Journal of Chemical Information and Modeling
|
March 20, 2023
MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution
Xiaolin Pan, Fanyu Zhao, Yueqing Zhang, et al.
Journal of Chemical Information and Modeling
|
August 2, 2018
Electrostatic Polarization Effect on Cooperative Aggregation of Full Length Human Islet Amyloid
Yang Li, Xianwei Wang, Longlong Ren, et al.
Journal of Cheminformatics
|
January 7, 2022
HobPre: accurate prediction of human oral bioavailability for small molecules
Min Wei, Xudong Zhang, Xiaolin Pan, et al.
Journal of Chemical Information and Modeling
|
April 22, 2022
AA-Score: a New Scoring Function Based on Amino Acid-Specific Interaction for Molecular Docking
Xiaolin Pan, Hao Wang, Yueqing Zhang, et al.
Journal of Chemical Information and Modeling
|
December 12, 2024
MacGen: A Web Server for Structure-Based Macrocycle Design
Zhihan Zhang, Dongliang Ke, Chengshan Jin, et al.
Journal of Chemical Information and Modeling
|
November 28, 2025
SiteMatcher: A Web Server for Structure-Based Drug Design Using Protein-Ligand Interaction Patterns
Dongliang Ke, Weiyu Zhou, Zhihan Zhang, et al.
Journal of Chemical Information and Modeling
|
December 19, 2025
qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced Graphs
Weiyu Zhou, Dongliang Ke, Zhihan Zhang, et al.
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Search research articles
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Showing results (21-30 of 34) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
June 2, 2017
Direct folding simulation of helical proteins using an effective polarizable bond force field
Lili Duan, Tong Zhu, Changge Ji, et al.
Journal of Chemical Information and Modeling
|
May 10, 2024
FragGrow: A Web Server for Structure-Based Drug Design by Fragment Growing within Constraints
Yueqing Zhang, Zhihan Zhang, Dongliang Ke, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
January 18, 2014
Ruthenium(II)/chiral Brønsted acid co-catalyzed enantioselective four-component reaction/cascade aza-Michael addition for efficient construction of 1,3,4-tetrasubstituted tetrahydroisoquinolines
Jun Jiang, Xiaochu Ma, Changge Ji, et al.
Journal of Chemical Information and Modeling
|
March 20, 2023
MolTaut: A Tool for the Rapid Generation of Favorable Tautomer in Aqueous Solution
Xiaolin Pan, Fanyu Zhao, Yueqing Zhang, et al.
Journal of Chemical Information and Modeling
|
August 2, 2018
Electrostatic Polarization Effect on Cooperative Aggregation of Full Length Human Islet Amyloid
Yang Li, Xianwei Wang, Longlong Ren, et al.
Journal of Cheminformatics
|
January 7, 2022
HobPre: accurate prediction of human oral bioavailability for small molecules
Min Wei, Xudong Zhang, Xiaolin Pan, et al.
Journal of Chemical Information and Modeling
|
April 22, 2022
AA-Score: a New Scoring Function Based on Amino Acid-Specific Interaction for Molecular Docking
Xiaolin Pan, Hao Wang, Yueqing Zhang, et al.
Journal of Chemical Information and Modeling
|
December 12, 2024
MacGen: A Web Server for Structure-Based Macrocycle Design
Zhihan Zhang, Dongliang Ke, Chengshan Jin, et al.
Journal of Chemical Information and Modeling
|
November 28, 2025
SiteMatcher: A Web Server for Structure-Based Drug Design Using Protein-Ligand Interaction Patterns
Dongliang Ke, Weiyu Zhou, Zhihan Zhang, et al.
Journal of Chemical Information and Modeling
|
December 19, 2025
qMol: A Web Server for Efficient Molecular Queries Using Fragment-Based Reduced Graphs
Weiyu Zhou, Dongliang Ke, Zhihan Zhang, et al.
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of 4