Qinghua Liao

发表

Loop Motion in Triosephosphate Isomerase Is Not a Simple Open and Shut Case.

M. W. van der Kamp, A. Mulholland, Ushnish Sengupta, 2018, Journal of the American Chemical Society.

Extending the Nonbonded Cationic Dummy Model to Account for Ion-Induced Dipole Interactions

Shina Caroline Lynn Kamerlin, B. Strodel, A. Pabis, 2017, The journal of physical chemistry letters.

Conformational Transitions of the Amyloid‐β Peptide Upon Copper(II) Binding and pH Changes

B. Strodel, B. Barz, Qinghua Liao, 2017 .

Aβ under stress: the effects of acidosis, Cu2+-binding, and oxidation on amyloid β-peptide dimers.

B. Strodel, B. Barz, Qinghua Liao, 2018, Chemical communications.

Long Time-Scale Atomistic Simulations of the Structure and Dynamics of Transcription Factor-DNA Recognition.

Dennis M. Krüger, J. Elf, P. Kasson, 2018, The journal of physical chemistry. B.

Molecular modeling, dynamics, and an insight into the structural inhibition of cofactor independent phosphoglycerate mutase isoform 1 from Wuchereria bancrofti using cheminformatics and mutational studies

B. Strodel, Qinghua Liao, Yellamandayya Vadlamudi, 2013, Journal of biomolecular structure & dynamics.

The N-terminal Helix-Turn-Helix Motif of Transcription Factors MarA and Rob Drives DNA Recognition

P. Kasson, S. C. Kamerlin, Antonietta Parracino, 2020, The journal of physical chemistry. B.

Enzyme Architecture: Modeling the Operation of a Hydrophobic Clamp in Catalysis by Triosephosphate Isomerase

Shina Caroline Lynn Kamerlin, Dennis M. Krüger, B. Strodel, 2017, Journal of the American Chemical Society.

Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut

Yoshiki Narimatsu, C. Rovira, H. Clausen, 2022, Nature Communications.

Pathways of Amyloid-β Aggregation Depend on Oligomer Shape.

B. Strodel, B. Barz, Qinghua Liao, 2018, Journal of the American Chemical Society.

Characterization of Mn(II) ion binding to the amyloid-β peptide in Alzheimer's disease.

J. Abrahams, B. Strodel, A. Gräslund, 2016, Journal of trace elements in medicine and biology : organ of the Society for Minerals and Trace Elements.

THE ROLE OF COMPETITION EFFECT IN THE SELF-ASSEMBLY STRUCTURE OF 3,5-DIPHENYLBENZOIC ACID AND 2,2′:6′,2″-TERPYRIDINE-4′-CARBOXYLIC ACID ON Ag(110)

Zhongping Wang, Yan Lu, Qinghua Liao, 2017 .

Development and Application of a Nonbonded Cu2+ Model That Includes the Jahn–Teller Effect

Shina Caroline Lynn Kamerlin, B. Strodel, Qinghua Liao, 2015, The journal of physical chemistry letters.

Role of Ligand-Driven Conformational Changes in Enzyme Catalysis: Modeling the Reactivity of the Catalytic Cage of Triosephosphate Isomerase

S. C. Kamerlin, J. Richard, T. L. Amyes, 2018, Journal of the American Chemical Society.

Amyloid-β Peptide Interactions with Amphiphilic Surfactants: Electrostatic and Hydrophobic Effects.

Dennis M. Krüger, L. Ilag, B. Strodel, 2018, ACS chemical neuroscience.

Enzyme neo- versus re-functionalization - an epistatic ratchet versus a smooth reversible transition.

Dan S. Tawfik, O. Dym, J. Sussman, 2019, Molecular biology and evolution.

Development and Application of a Nonbonded Cu 2 + Model That Includes the Jahn − Teller E ff ect

Shina Caroline Lynn Kamerlin, B. Strodel, Qinghua Liao, 2015 .

Enhanced sampling and free energy calculations for protein simulations.

Qinghua Liao, Qinghua Liao, 2020, Progress in molecular biology and translational science.

Pathways of Amyloid-β Aggregation Depend on Oligomer Shape.

B. Strodel, B. Barz, Qinghua Liao, 2018, Journal of the American Chemical Society.

Aβ under stress: the effects of acidosis, Cu2+-binding, and oxidation on amyloid β-peptide dimers.

B. Strodel, B. Barz, Qinghua Liao, 2018, Chemical communications.

Computer simulations of the catalytic mechanism of wild-type and mutant β-phosphoglucomutase.

Shina Caroline Lynn Kamerlin, J. Florián, Nicholas H Williams, 2018, Organic & biomolecular chemistry.