Fennell, Christopher J. - Oklahoma State University

个人简介

B.S., Drake University, 2001 Ph.D., University of Notre Dame, 2007

研究领域

Theoretical and computational chemistry Solvation in biomolecular systems Free energy calculations Model development in classical molecular mechanics Application development for portable devices

近期论文

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2014 LI – SMALL MOLECULE SOLVATION CHANGES DUE TO THE PRESENCE OF SALT ARE GOVERNED BY THE COST OF SOLVENT CAVITY FORMATION AND DISPERSION 2014 DRECHSEL – TRIFORCE: TESSELLATED SEMI-ANALYTICAL SOLVENT EXPOSED SURFACE AREAS AND DERIVATIVES 2014 LUKŠIČ – USING INTERPOLATION FOR FAST AND ACCURATE CALCULATION OF ION-ION INTERACTIONS 2014 FENNELL – A FIXED-CHARGE MODEL FOR ALCOHOL POLARIZATION IN THE CONDENSED PHASE, AND ITS ROLE IN SMALL MOLECULE HYDRATION 2014 LI – FIELD-SEA: A MODEL FOR COMPUTING THE SOLVATION FREE ENERGIES OF NONPOLAR, POLAR, AND CHARGED SOLUTES IN WATER 2014 LI – TESTING THE SEMI-EXPLICIT ASSEMBLY MODEL OF AQUEOUS SOLVATION IN THE SAMPL4 CHALLENGE 2012 URBIC – A MICROSCOPIC THEORY OF SOLVATION OF MONOIONS 2012 FENNELL – SIMPLE LIQUID MODELS WITH CORRECTED DIELECTRIC CONSTANTS 2012 KEHOE – TESTING THE SEMI-EXPLICIT ASSEMBLY SOLVATION MODEL IN THE SAMPL3 COMMUNITY BLIND TEST 2011 FENNELL – PHYSICAL MODELING OF AQUEOUS SOLVATION 2011 FENNELL – MODELING AQUEOUS SOLVATION WITH SEMI-EXPLICIT ASSEMBLY 2010 FENNELL – OIL/WATER TRANSFER IS PARTLY DRIVEN BY MOLECULAR SHAPE, NOT JUST SIZE 2009 FENNELL – (ADDITIONS/CORRECTIONS) ION PAIRING IN MOLECULAR SIMULATIONS OF AQUEOUS ALKALI HALIDE SOLUTIONS 2009 FENNELL – ION PAIRING IN MOLECULAR SIMULATIONS OF AQUEOUS ALKALI HALIDE SOLUTIONS 2008 MOBLEY – CHARGE ASYMMETRIES IN HYDRATION OF POLAR SOLUTES 2006 FENNELL – IS THE EWALD SUMMATION STILL NECESSARY? PAIRWISE ALTERNATIVES TO THE ACCEPTED STANDARD FOR LONG-RANGE ELECTROSTATICS 2005 FENNELL – COMPUTATIONAL FREE ENERGY STUDIES OF A NEW ICE POLYMORPH WHICH EXHIBITS GREATER STABILITY THAN ICE IH 2005 MEINEKE – OOPSE: AN OBJECT-ORIENTED PARALLEL SIMULATION ENGINE FOR MOLECULAR DYNAMICS 2004 FENNELL – ON THE STRUCTURAL AND TRANSPORT PROPERTIES OF THE SOFT-STICKY DIPOLE AND RELATED SINGLE POINT WATER MODELS