Cédric Grauffel

发表

A Role for Weak Electrostatic Interactions in Peripheral Membrane Protein Binding

N. Reuter, E. Fuglebakk, A. Gershenson, 2016, Biophysical journal.

Does changing the predicted dynamics of a phospholipase C alter activity and membrane binding?

N. Reuter, P. Wintrode, A. Gershenson, 2013, Biophysical journal.

Biochemical and cellular analysis of Ogden syndrome reveals downstream Nt-acetylation defects

N. Reuter, J. Swensen, T. Arnesen, 2014, Human molecular genetics.

Factors Governing the Bridging Water Protonation State in Polynuclear Mg(2+) Proteins.

C. Lim, Cédric Grauffel, 2016, The journal of physical chemistry. B.

An efficient protocol for computing the pKa of Zn-bound water.

C. Lim, B. Chu, Cédric Grauffel, 2018, Physical chemistry chemical physics : PCCP.

Structural analysis of disease-related TDP-43 D169G mutation: linking enhanced stability and caspase cleavage efficiency to protein accumulation

C. Lim, Cédric Grauffel, P. Kuo, 2016, Scientific Reports.

KAT2A/KAT2B-targeted acetylome reveals a role for PLK4 acetylation in preventing centrosome amplification

P. Gönczy, Marjorie Fournier, L. Tora, 2016, Nature Communications.

Calcium in Signaling: Its Specificity and Vulnerabilities toward Biogenic and Abiogenic Metal Ions.

C. Lim, Cédric Grauffel, T. Dudev, 2021, The journal of physical chemistry. B.

Allosteric coupling between transmembrane segment 4 and the selectivity filter of TALK1 potassium channels regulates their gating by extracellular pH

C. Lim, Cédric Grauffel, M. Rupnik, 2022, The Journal of biological chemistry.

Multi-targeting of functional cysteines in multiple conserved SARS-CoV-2 domains by clinically safe Zn-ejectors†

K. Sargsyan, C. Lim, Cédric Grauffel, 2020, Chemical science.

Metal Affinity/Selectivity of Monophosphate-Containing Signaling/Lipid Molecules.

C. Lim, Cédric Grauffel, T. Dudev, 2021, Journal of chemical theory and computation.

Free and Bound Therapeutic Lithium in Brain Signaling.

C. Lim, Cédric Grauffel, T. Dudev, 2019, Accounts of chemical research.

Preferred Hydrogen-Bonding Partners of Cysteine: Implications for Regulating Cys Functions.

K. Sargsyan, C. Lim, Cédric Grauffel, 2016, The journal of physical chemistry. B.

Α γ-tubulin complex-dependent pathway suppresses ciliogenesis by promoting cilia disassembly.

C. Lim, B. Raught, K. Hsia, 2022, Cell reports.

Histone H3 Tails Containing Dimethylated Lysine and Adjacent Phosphorylated Serine Modiﬁcations Adopt a Speciﬁc Conformation during Mitosis and Meiosis (cid:1) †

R. Stote, L. Tora, M. Oulad-Abdelghani, 2008 .

How Pb2+ Binds and Modulates Properties of Ca2+-Signaling Proteins.

C. Lim, Cédric Grauffel, T. Dudev, 2018, Inorganic chemistry.

Factors governing when a metal-bound water is deprotonated in proteins.

C. Lim, Cédric Grauffel, 2018, Physical chemistry chemical physics : PCCP.

Why Cellular Di/Triphosphates Preferably Bind Mg2+ and not Ca2.

C. Lim, Cédric Grauffel, T. Dudev, 2019, Journal of chemical theory and computation.

How Molecular Size Impacts RMSD Applications in Molecular Dynamics Simulations.

Carmay Lim, Karen Sargsyan, K. Sargsyan, 2017, Journal of chemical theory and computation.

Efficient Strategy to Design Protease Inhibitors: Application to Enterovirus 71 2A Protease

C. Lim, Cédric Grauffel, Hanna S. Yuan, 2022, ACS bio & med chem Au.

Dual Specificity of the Interfacial Inhibitor Brefeldin A for Arf Proteins and Sec7 Domains*

J. Cherfils, B. Guibert, M. Zeghouf, 2006, Journal of Biological Chemistry.

Ran pathway-independent regulation of mitotic Golgi disassembly by Importin-α

C. Lim, K. Hsia, Cédric Grauffel, 2019, Nature Communications.

Histone H3 Tails Containing Dimethylated Lysine and Adjacent Phosphorylated Serine Modifications Adopt a Specific Conformation during Mitosis and Meiosis

R. Stote, L. Tora, M. Oulad-Abdelghani, 2008, Molecular and Cellular Biology.

Characterization of Immunological Cross-Reactivity between Enterotoxigenic Escherichia coli Heat-Stable Toxin and Human Guanylin and Uroguanylin

N. Reuter, P. Puntervoll, Cédric Grauffel, 2014, Infection and Immunity.

Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)4+ Interactions.

Alexander D. MacKerell, N. Reuter, Cédric Grauffel, 2016, Journal of chemical theory and computation.

Molecular dynamics for computational proteomics of methylated histone H3.

R. Stote, A. Dejaegere, Cédric Grauffel, 2015, Biochimica et biophysica acta.

Cation-π interactions as lipid-specific anchors for phosphatidylinositol-specific phospholipase C.

N. Reuter, A. Gershenson, Tao He, 2013, Journal of the American Chemical Society.

Identifying COVID-19 Drug-Sites Susceptible To Clinically Safe Zn-ejector Drugs Using Evolutionary/Physical Principles

K. Sargsyan, C. Lim, Cédric Grauffel, 2020 .

Force field parameters for the simulation of modified histone tails

Roland H. Stote, Annick Dejaegere, Cédric Grauffel, 2010, J. Comput. Chem..

How Native and Non-Native Cations Bind and Modulate the Properties of GTP/ATP.

C. Lim, S. Hsu, Cédric Grauffel, 2018, Journal of Chemical Theory and Computation.

How Native and Alien Metal Cations Bind ATP: Implications for Lithium as a Therapeutic Agent

C. Lim, Cédric Grauffel, T. Dudev, 2017, Scientific Reports.

Influence of the Selectivity Filter Properties on Proton Selectivity in the Influenza A M2 Channel.

C. Lim, Cédric Grauffel, T. Dudev, 2016, Journal of the American Chemical Society.

Reversible ketomethylene-based inhibitors of human neutrophil proteinase 3.

N. Reuter, A. Schillinger, Cédric Grauffel, 2014, Journal of medicinal chemistry.

Factors Governing the Different Functions of Zn2+-Sites with Identical Ligands in Proteins

Yu Ming Lee, Cedric Grauffel, Ting Chen, 2019, J. Chem. Inf. Model..

Trinuclear Calcium Site in the C2 Domain of PKCα/γ Is Prone to Lithium Attack

C. Lim, Cédric Grauffel, T. Dudev, 2021, ACS omega.

In silico design, synthesis, and assays of specific substrates for proteinase 3: influence of fluorogenic and charged groups.

N. Reuter, Cédric Grauffel, B. Haug, 2014, Journal of medicinal chemistry.

Two homologous neutrophil serine proteases bind to POPC vesicles with different affinities: When aromatic amino acids matter.

N. Reuter, A. Schillinger, Cédric Grauffel, 2014, Biochimica et biophysica acta.

Protein Ca2+-Sites Prone to Sr2+ Substitution: Implications for Strontium Therapy.

C. Lim, Cédric Grauffel, T. Dudev, 2023, The journal of physical chemistry. B.

Site-specific Conjugation of 6 DOTA Chelators to a CA19-9-targeting scFv-Fc Antibody for Imaging and Therapy

C. Lim, Cédric Grauffel, Chuan-Lin Chen, 2023, Journal of medicinal chemistry.

Proteinase 3 Is a Phosphatidylserine-binding Protein That Affects the Production and Function of Microvesicles*

N. Reuter, M. Benhamou, Cédric Grauffel, 2016, The Journal of Biological Chemistry.

Improving the Force Field Description of Tyrosine-Choline Cation-π Interactions: QM Investigation of Phenol-N(Me)4+ Interactions.

Alexander D. MacKerell, N. Reuter, Cédric Grauffel, 2016, Journal of Chemical Theory and Computation.

An Antibody‐Drug Conjugate for Multiple Myeloma Prepared by Multi‐Arm Linkers

C. Lim, Cédric Grauffel, Pei-Wen Wu, 2024, Advanced science.