Chuanjie Wu

Schrodinger (United States) — United States

Biochemistry, Genetics and Molecular Biology · Life Sciences

17h-index9.5kcitations28works5.02yr avg
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Research Topics

Protein Structure and Dynamics(9), Computational Drug Discovery Methods(7), Crystallography and molecular interactions(6), Spectroscopy and Quantum Chemical Studies(6), Advanced Chemical Physics Studies(3)

Publications28 total

A robust crystal structure prediction method to support small molecule drug development with large scale validation and blind study
Nature Communications·2025· 16 citedOpen Access
A Robust Crystal Structure Prediction Method to Support Small Molecule Drug Development with Large Scale Validation and Prospective Studies
2025· 1 citedOpen Access
A Robust Crystal Structure Prediction Method to Support Small Molecule Drug Development with Large Scale Validation and Prospective Studies
2024· 1 citedOpen Access
A Robust Crystal Structure Prediction Method to Support Small Molecule Drug Development with Large Scale Validation and Prospective Studies
2024· 2 citedOpen Access
OPLS4: Improving Force Field Accuracy on Challenging Regimes of Chemical Space
Journal of Chemical Theory and Computation·2021· 1.7k cited
Schrodinger-ANI: An Eight-Element Neural Network Interaction Potential with Greatly Expanded Coverage of Druglike Chemical Space
2019· 1 citedOpen Access
Toward Atomistic Modeling of Irreversible Covalent Inhibitor Binding Kinetics
Journal of Chemical Information and Modeling·2019· 45 cited
Corrosion resistance of composite coating used for fastener protection
Anti-Corrosion Methods and Materials·2019· 8 cited
Failure mechanisms governing anchoring force of friction-based wedge anchorage for prestressed CFRP plate
Composite Structures·2019· 17 cited
Friction and wear behavior of CFRP plate in contact with roughened mould steel under high normal pressure
Construction and Building Materials·2019· 36 cited
OPLS3e: Extending Force Field Coverage for Drug-Like Small Molecules
Journal of Chemical Theory and Computation·2019· 1.2k cited
AMOEBA Polarizable Atomic Multipole Force Field for Nucleic Acids
Journal of Chemical Theory and Computation·2018· 313 cited
OPLS3: A Force Field Providing Broad Coverage of Drug-like Small Molecules and Proteins
Journal of Chemical Theory and Computation·2015· 3.1k cited
Electrochemical Corrosion Behavior of Zinc Powder Sherardized Carbon Steel
Corrosion Science and Protetion Technology·2014
Polarizable Atomic Multipole-Based AMOEBA Force Field for Proteins
Journal of Chemical Theory and Computation·2013· 706 citedOpen Access
Accurate Force Field Development for Modeling Conjugated Polymers
Journal of Chemical Theory and Computation·2012· 135 cited
Molecular Dynamics of β-Hairpin Models of Epigenetic Recognition Motifs
Journal of the American Chemical Society·2012· 27 cited
Polarizable Atomic Multipole-Based Molecular Mechanics for Organic Molecules
Journal of Chemical Theory and Computation·2011· 489 citedOpen Access
Mutual solubilities study for binary mixtures of dipropylene glycol dimethyl ether and water via molecular dynamics simulation and AMOEBA polarizable force field
Fluid Phase Equilibria·2011· 8 cited
Reintroducing Electrostatics into Macromolecular Crystallographic Refinement: Application to Neutron Crystallography and DNA Hydration
Structure·2011· 35 citedOpen Access
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Frequent Co-authors

Robert Abel(9), Lingle Wang(8), Richard A. Friesner(8), Jay W. Ponder(6), Leif D. Jacobson(6), Edward Harder(5), Pengyu Ren(5), Dong Zhou(4), Biswajit Santra(4), Haoyu Yu(4), Wolfgang Damm(3), Markus K. Dahlgren(3), Chao Lü(3), Huai Sun(3), Imanuel Bier(3), Barbara Almaguer(3), Jon R. Maple(2), Mark Reboul(2), Dmitry Lupyan(2), Vijay S. Pande(2)