Carmay Lim

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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..

Force fields including charge transfer and local polarization effects: Application to proteins containing multi/heavy metal ions

Carmay Lim, Dmitri V. Sakharov, C. Lim, 2009, J. Comput. Chem..

Strategies to model the near‐solute solvent molecular density/polarization

Pei-Kun Yang, Carmay Lim, C. Lim, 2009, J. Comput. Chem..

Quantum‐chemistry based calibration of the alkali metal cation series (Li+Cs+) for large‐scale polarizable molecular mechanics/dynamics simulations

Nohad Gresh, Markus Meuwly, Jean-Philip Piquemal, 2015, J. Comput. Chem..

Protein-Protein Docking Using EMAP in CHARMM and Support Vector Machine: Application to Ab/Ag Complexes.

Bernard R Brooks, Xiongwu Wu, Carmay Lim, 2013, Journal of chemical theory and computation.

Clustangles: An Open Library for Clustering Angular Data

Karen Sargsyan, Carmay Lim, Yun Hao Hua, 2015, J. Chem. Inf. Model..

Discrete, dynamic polymer modeling: A pseudo‐diatomic model of lignin

Marc R. Roussel, Carmay Lim, C. Lim, 1995, J. Comput. Chem..

B Cells in Mice in Inducing Autoreactive Antibodies Against β and Ig α Comparative Effects of Human Ig

Carmay Lim, Tse-Wen Chang, Jim J. C. Sheu, 2013 .

DR_bind: a web server for predicting DNA-binding residues from the protein structure based on electrostatics, evolution and geometry

Carmay Lim, Yao Chi Chen, Jon D. Wright, 2012, Nucleic Acids Res..

Quantifying polypeptide conformational space: sensitivity to conformation and ensemble definition.

Carmay Lim, David C. Sullivan, C. Lim, 2006, The journal of physical chemistry. B.

Mononuclear versus binuclear metal-binding sites: metal-binding affinity and selectivity from PDB survey and DFT/CDM calculations.

Carmay Lim, Todor Dudev, C. Lim, 2008, Journal of the American Chemical Society.

Absolute pKa calculations with continuum dielectric methods

Carmay Lim, Martin Karplus, M. Karplus, 1991 .

Factors governing the protonation state of cysteines in proteins: an Ab initio/CDM study.

Carmay Lim, Todor Dudev, C. Lim, 2002, Journal of the American Chemical Society.

A simple biophysical model emulates budding yeast chromosome condensation

Carmay Lim, Paul A Bates, Tammy M. K. Cheng, 2015, eLife.

Effect of carboxylate-binding mode on metal binding/selectivity and function in proteins.

Carmay Lim, Todor Dudev, C. Lim, 2007, Accounts of chemical research.

Competition between Li+ and Mg2+ in metalloproteins. Implications for lithium therapy.

Carmay Lim, Todor Dudev, C. Lim, 2011, Journal of the American Chemical Society.

A combined experimental and theoretical study of divalent metal ion selectivity and function in proteins: application to E. coli ribonuclease H1.

Carmay Lim, Todor Dudev, C. Lim, 2003, Journal of the American Chemical Society.

Theory of Ionic Hydration: Insights from Molecular Dynamics Simulations and Experiment

Carmay Lim, C. Lim, C. S. Babu, 1999 .

A structural-alphabet-based strategy for finding structural motifs across protein families

Carmay Lim, Yao Chi Chen, C. Lim, 2010, Nucleic acids research.

Predicting DNA‐binding amino acid residues from electrostatic stabilization upon mutation to Asp/Glu and evolutionary conservation

Carmay Lim, Yao Chi Chen, C. Lim, 2007, Proteins.

Modeling Zn2+-Cysteinate Complexes in Proteins

Carmay Lim, C. Lim, Todor Dudev† and, 2001 .

Zn protein simulations including charge transfer and local polarization effects.

Carmay Lim, C. Lim, D. V. Sakharov, 2005, Journal of the American Chemical Society.

Physical basis of structural and catalytic Zn-binding sites in proteins.

Carmay Lim, C. Lim, Yu-Ming Lee, 2008, Journal of molecular biology.

How Molecular Size Impacts RMSD Applications in Molecular Dynamics Simulations.

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

Common physical basis of macromolecule-binding sites in proteins

Carmay Lim, Yao Chi Chen, C. Lim, 2008, Nucleic acids research.

Determinants of K+ vs Na+ selectivity in potassium channels.

Carmay Lim, Todor Dudev, C. Lim, 2009, Journal of the American Chemical Society.

Protein Dynamics and Contact Topology Reveal Protein-DNA Binding Orientation.

Aravind Chandrasekaran, Carmay Lim, Lee-Wei Yang, 2016, Journal of chemical theory and computation.

Structural Characterization of the Phosphotyrosine Binding Region of a High-Affinity SH2 Domain−Phosphopeptide Complex by Molecular Dynamics Simulation and Chemical Shift Calculations

Carmay Lim, M. Philippopoulos, C. Lim, 1996 .

First-second shell interactions in metal binding sites in proteins: a PDB survey and DFT/CDM calculations.

Minko Dudev, Carmay Lim, Todor Dudev, 2003, Journal of the American Chemical Society.

Arrangement of 3D structural motifs in ribosomal RNA

Carmay Lim, Karen Sargsyan, K. Sargsyan, 2010, Nucleic acids research.

Factors governing the metal coordination number in isolated group IA and IIA metal hydrates.

Carmay Lim, Ingvar Tunell, 2006, Inorganic chemistry.

Principles governing Mg, Ca, and Zn binding and selectivity in proteins.

Carmay Lim, Todor Dudev, C. Lim, 2003, Chemical reviews.

Metal Selectivity in Metalloproteins: Zn2+ vs Mg2+

Carmay Lim, C. Lim, Todor Dudev† and, 2001 .

Atom–surface scattering dynamics at hyperthermal energies

Aviv Amirav, M. J. Cardillo, Carmay Lim, 1987 .