| Optimization of the CHARMM additive force field for DNA: Improved treatment of the BI/BII conformational equilibrium K Hart, N Foloppe, CM Baker, EJ Denning, L Nilsson, AD MacKerell Jr Journal of chemical theory and computation 8 (1), 348-362, 2012 | 547 | 2012 |
| Polarizable force fields for molecular dynamics simulations of biomolecules CM Baker Wiley Interdisciplinary Reviews: Computational Molecular Science 5 (2), 241-254, 2015 | 205 | 2015 |
| Distance measurements in the borderline region of applicability of CW EPR and DEER: a model study on a homologous series of spin-labelled peptides JE Banham, CM Baker, S Ceola, IJ Day, GH Grant, EJJ Groenen, ... Journal of Magnetic Resonance 191 (2), 202-218, 2008 | 185 | 2008 |
| Accurate calculation of hydration free energies using pair-specific Lennard-Jones parameters in the CHARMM Drude polarizable force field CM Baker, PEM Lopes, X Zhu, B Roux, AD MacKerell Jr Journal of chemical theory and computation 6 (4), 1181-1198, 2010 | 159 | 2010 |
| Interplay between partner and ligand facilitates the folding and binding of an intrinsically disordered protein JM Rogers, V Oleinikovas, SL Shammas, CT Wong, D De Sancho, ... Proceedings of the National Academy of Sciences 111 (43), 15420-15425, 2014 | 157 | 2014 |
| Development of CHARMM polarizable force field for nucleic acid bases based on the classical Drude oscillator model CM Baker, VM Anisimov, AD MacKerell Jr The journal of physical chemistry B 115 (3), 580-596, 2011 | 154 | 2011 |
| Role of aromatic amino acids in protein–nucleic acid recognition CM Baker, GH Grant Biopolymers: Original Research on Biomolecules 85 (5‐6), 456-470, 2007 | 119 | 2007 |
| Insights into the binding of intrinsically disordered proteins from molecular dynamics simulation CM Baker, RB Best Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 182-198, 2014 | 83 | 2014 |
| Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers CM Baker, AD MacKerell Journal of molecular modeling 16, 567-576, 2010 | 71 | 2010 |
| Helix-forming carbohydrate amino acids TDW Claridge, DD Long, CM Baker, B Odell, GH Grant, AA Edwards, ... The Journal of organic chemistry 70 (6), 2082-2090, 2005 | 66 | 2005 |
| Innovations in Biomolecular Modeling and Simulations T Schlick Royal Society of Chemistry, 2012 | 47 | 2012 |
| Modeling aromatic liquids: toluene, phenol, and pyridine CM Baker, GH Grant Journal of Chemical Theory and Computation 3 (2), 530-548, 2007 | 46 | 2007 |
| The structure of liquid benzene CM Baker, GH Grant Journal of Chemical Theory and Computation 2 (4), 947-955, 2006 | 43 | 2006 |
| Structure, electronic circular dichroism and Raman optical activity in the gas phase and in solution: a computational and experimental investigation NA Macleod, P Butz, JP Simons, GH Grant, CM Baker, GE Tranter Physical Chemistry Chemical Physics 7 (7), 1432-1440, 2005 | 41 | 2005 |
| Electronic Circular Dichroism Spectroscopy of 1‐(R)‐Phenylethanol: The “Sector Rule” Revisited and an Exploration of Solvent Effects NA Macleod, P Butz, JP Simons, GH Grant, CM Baker, GE Tranter Israel journal of chemistry 44 (1‐3), 27-36, 2004 | 40 | 2004 |
| Matching of additive and polarizable force fields for multiscale condensed phase simulations CM Baker, RB Best Journal of chemical theory and computation 9 (6), 2826-2837, 2013 | 27 | 2013 |
| Dissecting Solvent Effects on Hydrogen Bonding NY Meredith, S Borsley, IV Smolyar, GS Nichol, CM Baker, KB Ling, ... Angewandte Chemie International Edition 61 (30), e202206604, 2022 | 20 | 2022 |
| Scalable total synthesis and comprehensive structure–activity relationship studies of the phytotoxin coronatine MM Littleson, CM Baker, AJ Dalençon, EC Frye, C Jamieson, ... Nature Communications 9 (1), 1105, 2018 | 17 | 2018 |
| Total synthesis of the epoxyquinol dimer (+)-panepophenanthrin: application of a diastereospecific biomimetic Diels-Alder dimerisation L Comméiras, JE Moses, RM Adlington, JE Baldwin, AR Cowley, ... Tetrahedron 62 (42), 9892-9901, 2006 | 17 | 2006 |
| Engineering folding dynamics from two-state to downhill: Application to λ-repressor JW Carter, CM Baker, RB Best, D De Sancho The Journal of Physical Chemistry B 117 (43), 13435-13443, 2013 | 12 | 2013 |
Alexander MacKerellGrollman Glick Professor of Pharmaceutical Sciences, University of Maryland, BaltimoreVerified email at rx.umaryland.edu
