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Vibrational Spectroscopic Map, Vibrational Spectroscopy, and Intermolecular Interaction
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June 2020 |
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IR Probes of Protein Microenvironments: Utility and Potential for Perturbation
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February 2014 |
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Site-Specific Spectroscopic Reporters of the Local Electric Field, Hydration, Structure, and Dynamics of Biomolecules
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September 2011 |
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Features and development of Coot
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March 2010 |
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Direct Measurement of the Membrane Dipole Field in Bicelles Using Vibrational Stark Effect Spectroscopy
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July 2011 |
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The R.E.D. tools: advances in RESP and ESP charge derivation and force field library building
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January 2010 |
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Exploring local solvation environments of a heme protein using the spectroscopic reporter 4-cyano- l -phenylalanine
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journal
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January 2018 |
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The Two-Dimensional Vibrational Echo of a Nitrile Probe of the Villin HP35 Protein
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November 2010 |
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Nitrile Probes of Electric Field Agree with Independently Measured Fields in Green Fluorescent Protein Even in the Presence of Hydrogen Bonding
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journal
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May 2016 |
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Investigation of an unnatural amino acid for use as a resonance Raman probe: detection limits and solvent and temperature dependence of the νCN band of 4-cyanophenylalanine
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November 2008 |
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Engineering and characterization of a superfolder green fluorescent protein
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December 2005 |
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Phaser crystallographic software
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July 2007 |
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Synthesis of D‐ and L‐Phenylalanine Derivatives by Phenylalanine Ammonia Lyases: A Multienzymatic Cascade Process
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February 2015 |
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Development and testing of a general amber force field
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January 2004 |
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A Rational Approach to Catalytic Enantioselective Enolate Alkylation Using a Structurally Rigidified and Defined Chiral Quaternary Ammonium Salt under Phase Transfer Conditions
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December 1997 |
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The stereoselective synthesis of .alpha.-amino acids by phase-transfer catalysis
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March 1989 |
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Transparent Window Vibrational Probes for the Characterization of Proteins With High Structural and Temporal Resolution
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January 2017 |
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Nitrile Bonds as Infrared Probes of Electrostatics in Ribonuclease S
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October 2010 |
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Quantifying the Effects of Hydrogen Bonding on Nitrile Frequencies in GFP: Beyond Solvent Exposure
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journal
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June 2018 |
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Powerful Chiral Phase‐Transfer Catalysts for the Asymmetric Synthesis of α‐Alkyl‐ and α,α‐Dialkyl‐α‐amino Acids
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February 2005 |
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XDS
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January 2010 |
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Exact and efficient analytical calculation of the accessible surface areas and their gradients for macromolecules
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February 1998 |
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Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
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July 2008 |
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Modulating Accidental Fermi Resonance: What a Difference a Neutron Makes
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June 2011 |
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ff14SB: Improving the Accuracy of Protein Side Chain and Backbone Parameters from ff99SB
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July 2015 |
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Synthesis of isotopomers of N-(tert-butoxycarbonyl)-4-cyano-l-phenylalanine methyl ester: choice of cyanation solvent
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journal
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December 2011 |
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Chemical exchange 2D IR of hydrogen-bond making and breaking
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journal
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July 2005 |
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Ribonuclease S Dynamics Measured Using a Nitrile Label with 2D IR Vibrational Echo Spectroscopy
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journal
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March 2012 |
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Recent developments in the general atomic and molecular electronic structure system
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journal
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April 2020 |
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Temperature Dependence of CN and SCN IR Absorptions Facilitates Their Interpretation and Use as Probes of Proteins
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journal
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October 2015 |
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Highly Enantioselective and Practical Cinchona-Derived Phase-Transfer Catalysts for the Synthesis of α-Amino Acids This work was supported by grants from Aminogen Co. (Korea) through the Research Center of New Drug Development of Seoul National University and the Research Institute of Pharmaceutical Sciences in the College of Pharmacy of Seoul National University.
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journal
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August 2002 |
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A Solvatochromic Model Calibrates Nitriles’ Vibrational Frequencies to Electrostatic Fields
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journal
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June 2012 |
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Cyano Groups as Probes of Protein Microenvironments and Dynamics
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journal
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July 2011 |
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Nitrile and thiocyanate IR probes: Quantum chemistry calculation studies and multivariate least-square fitting analysis
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journal
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April 2008 |
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Probing the effectiveness of spectroscopic reporter unnatural amino acids: a structural study
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journal
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January 2016 |
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Fast Equilibration of Water between Buried Sites and the Bulk by Molecular Dynamics with Parallel Monte Carlo Water Moves on Graphical Processing Units
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November 2021 |
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Macromolecular structure determination using X-rays, neutrons and electrons: recent developments in Phenix
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journal
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October 2019 |
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Using Nitrile-Derivatized Amino Acids as Infrared Probes of Local Environment
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journal
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January 2003 |
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Temperature dependence of the CN stretching vibration of a nitrile-derivatized phenylalanine in water
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journal
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April 2003 |
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Using an Amino Acid Fluorescence Resonance Energy Transfer Pair To Probe Protein Unfolding: Application to the Villin Headpiece Subdomain and the LysM Domain †
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journal
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October 2008 |
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Interpretation of p -Cyanophenylalanine Fluorescence in Proteins in Terms of Solvent Exposure and Contribution of Side-Chain Quenchers: A Combined Fluorescence, IR and Molecular Dynamics Study
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journal
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September 2009 |
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Probing Protein Folding Using Site-Specifically Encoded Unnatural Amino Acids as FRET Donors with Tryptophan
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journal
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June 2009 |
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Conformational Distribution of a 14-Residue Peptide in Solution: A Fluorescence Resonance Energy Transfer Study
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journal
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March 2005 |
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Preparation of site-specifically labeled fluorinated proteins for 19F-NMR structural characterization
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journal
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October 2007 |
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A rapid and highly enantioselective C–11C bond formation of l-[11C]phenylalanine via chiral phase-transfer catalysis
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journal
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January 2017 |
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SWISS-MODEL and the Swiss-Pdb Viewer: An environment for comparative protein modeling
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journal
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January 1997 |
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Application of the multimolecule and multiconformational RESP methodology to biopolymers: Charge derivation for DNA, RNA, and proteins
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journal
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November 1995 |
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Comparison of simple potential functions for simulating liquid water
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journal
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July 1983 |
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Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins
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journal
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April 2016 |
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A Genetically Encoded Infrared Probe
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journal
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November 2006 |
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Expanding the Utility of 4-Cyano- l -Phenylalanine As a Vibrational Reporter of Protein Environments
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journal
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August 2012 |