Chuanjie Wu
Chuanjie Wu
Principal Scientist for Force Field Development, Schrodinger, Inc.
Adresse e-mail validée de schrodinger.com
TitreCitée parAnnée
Current status of the AMOEBA polarizable force field
JW Ponder, C Wu, P Ren, VS Pande, JD Chodera, MJ Schnieders, ...
The journal of physical chemistry B 114 (8), 2549-2564, 2010
9122010
OPLS3: a force field providing broad coverage of drug-like small molecules and proteins
E Harder, W Damm, J Maple, C Wu, M Reboul, JY Xiang, L Wang, ...
Journal of chemical theory and computation 12 (1), 281-296, 2016
8722016
Polarizable atomic multipole-based AMOEBA force field for proteins
Y Shi, Z Xia, J Zhang, R Best, C Wu, JW Ponder, P Ren
Journal of chemical theory and computation 9 (9), 4046-4063, 2013
3902013
Polarizable atomic multipole-based molecular mechanics for organic molecules
P Ren, C Wu, JW Ponder
Journal of chemical theory and computation 7 (10), 3143-3161, 2011
3182011
Study on performance mechanism of pour point depressants with differential scanning calorimeter and X-ray diffraction methods☆
J Zhang, C Wu, W Li, Y Wang, Z Han
Fuel 82 (11), 1419-1426, 2003
862003
Accurate force field development for modeling conjugated polymers
KH DuBay, ML Hall, TF Hughes, C Wu, DR Reichman, RA Friesner
Journal of chemical theory and computation 8 (11), 4556-4569, 2012
722012
Molecular dynamics simulation guiding the improvement of EVA-type pour point depressant
C Wu, J Zhang, W Li, N Wu
Fuel 84 (16), 2039-2047, 2005
722005
Multipole electrostatics in hydration free energy calculations
Y Shi, C Wu, JW Ponder, P Ren
Journal of computational chemistry 32 (5), 967-977, 2011
672011
DFT and MM calculation: the performance mechanism of pour point depressants study
J Zhang, C Wu, W Li, Y Wang, H Cao
Fuel 83 (3), 315-326, 2004
622004
AMOEBA polarizable atomic multipole force field for nucleic acids
C Zhang, C Lu, Z Jing, C Wu, JP Piquemal, JW Ponder, P Ren
Journal of chemical theory and computation 14 (4), 2084-2108, 2018
472018
OPLS3e: Extending force field coverage for drug-like small molecules
K Roos, C Wu, W Damm, M Reboul, JM Stevenson, C Lu, MK Dahlgren, ...
Journal of chemical theory and computation 15 (3), 1863-1874, 2019
382019
Reintroducing electrostatics into macromolecular crystallographic refinement: application to neutron crystallography and DNA hydration
TD Fenn, MJ Schnieders, M Mustyakimov, C Wu, P Langan, VS Pande, ...
Structure 19 (4), 523-533, 2011
312011
Artificial neural network model to predict cold filter plugging point of blended diesel fuels
C Wu, J Zhang, W Li, Y Wang, H Cao
Fuel processing technology 87 (7), 585-590, 2006
242006
Prediction of Henry's law constants of small gas molecules in liquid ethylene oxide and ethanol using force field methods
C Wu, X Li, J Dai, H Sun
Fluid phase equilibria 236 (1-2), 66-77, 2005
232005
Molecular dynamics of β-hairpin models of epigenetic recognition motifs
X Zheng, C Wu, JW Ponder, GR Marshall
Journal of the American Chemical Society 134 (38), 15970-15978, 2012
222012
降凝剂分子设计的研究进展
张金利, 梁瑛
化工进展 21 (004), 239-242, 2002
182002
Prediction of the heat of mixing for binary fluids using molecular dynamics simulation
J Dai, C Wu, X Bao, H Sun
Fluid phase equilibria 236 (1-2), 78-85, 2005
162005
Mutual solubilities study for binary mixtures of dipropylene glycol dimethyl ether and water via molecular dynamics simulation and AMOEBA polarizable force field
L Zhao, C Wu, N Huang
Fluid phase equilibria 310 (1-2), 32-38, 2011
52011
基于第一原理力场预测热力学参数的探讨
孙淮, 武传杰, 李晓锋, 戴建兴
化工學報 57 (5), 1055-1063, 2006
22006
Predictions of thermodynamics parameters based on first-principle force field methods
H Sun, C Wu, X Li, J Dai
JOURNAL OF CHEMICAL INDUSTRY AND ENGINEERING-CHINA- 57 (5), 1055, 2006
22006
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