Martin J. Field - Publications


98 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Grillo IB, Bachega JFR, Timmers LFSM, Caceres RA, de Souza ON, Field MJ, Rocha GB. Theoretical characterization of the shikimate 5-dehydrogenase reaction from Mycobacterium tuberculosis by hybrid QC/MM simulations and quantum chemical descriptors. Journal of Molecular Modeling. 26: 297. PMID 33030705 DOI: 10.1007/s00894-020-04536-9  0.313
2020 Pieri C, Bhattacharjee A, Barrozo A, Faure B, Giorgi M, Fize J, Réglier M, Field M, Orio M, Artero V, Hardré R. Hydrogen evolution reaction mediated by an all-sulfur trinuclear nickel complex. Chemical Communications (Cambridge, England). PMID 32812950 DOI: 10.1039/D0Cc04174B  0.331
2020 Woodhouse J, Nass Kovacs G, Coquelle N, Uriarte LM, Adam V, Barends TRM, Byrdin M, de la Mora E, Bruce Doak R, Feliks M, Field M, Fieschi F, Guillon V, Jakobs S, Joti Y, et al. Photoswitching mechanism of a fluorescent protein revealed by time-resolved crystallography and transient absorption spectroscopy. Nature Communications. 11: 741. PMID 32029745 DOI: 10.1038/S41467-020-14537-0  0.31
2019 Hoias Teixeira M, Curtolo F, Camilo SRG, Field MJ, Zheng P, Li H, Arantes GM. Modelling the hydrolysis of iron-sulfur clusters. Journal of Chemical Information and Modeling. PMID 31790241 DOI: 10.1021/Acs.Jcim.9B00881  0.328
2019 Queyriaux N, Sun D, Fize J, Pecaut J, Field MJ, Chavarot-Kerlidou M, Artero V. Electrocatalytic Hydrogen Evolution with a Cobalt Complex Bearing Pendant Proton Relays: Acid Strength and Applied Potential Govern Mechanism and Stability. Journal of the American Chemical Society. PMID 31760743 DOI: 10.1021/Jacs.9B10407  0.316
2019 Bhattacharjee N, Triboulet S, Dubée V, Fonvielle M, Edoo Z, Hugonnet JE, Ethève-Quelquejeu M, Simorre JP, Field MJ, Arthur M, Bougault CM. Negative impact of carbapenem methylation on the reactivity of β-lactams for cysteine acylation revealed by quantum calculations and kinetic analyses. Antimicrobial Agents and Chemotherapy. PMID 30718252 DOI: 10.1128/Aac.02039-18  0.324
2018 Coquelle N, Sliwa M, Woodhouse J, Schirò G, Adam V, Aquila A, Barends TRM, Boutet S, Byrdin M, Carbajo S, De la Mora E, Doak RB, Feliks M, Fieschi F, Foucar L, ... ... Field M, et al. Chromophore twisting in the excited state of a photoswitchable fluorescent protein captured by time-resolved serial femtosecond crystallography. Nature Chemistry. 10: 31-37. PMID 29256511 DOI: 10.1038/Nchem.2853  0.332
2017 Zarkadoulas A, Field MJ, Artero V, Mitsopoulou CA. Proton reduction reaction catalyzed by homoleptic nickel bis-1,2-dithiolate complexes: Experimental and theoretical mechanistic investigations. Chemcatchem. 9: 2308-2317. PMID 28670348 DOI: 10.1002/Cctc.201601399  0.314
2017 Field MJ. An Algorithm for Adaptive QC/MM Simulations. Journal of Chemical Theory and Computation. 13: 2342-2351. PMID 28383263 DOI: 10.1021/Acs.Jctc.7B00099  0.389
2017 Shaik MM, Bhattacharjee N, Feliks M, Ng KK, Field MJ. Norovirus RNA-dependent RNA polymerase: A computational study of metal-binding preferences. Proteins. PMID 28383118 DOI: 10.1002/Prot.25304  0.319
2017 Kang J, Kino H, Field MJ, Tateno M. Electronic Structure Rearrangements in Hybrid Ribozyme/Protein Catalysis Journal of the Physical Society of Japan. 86: 044801. DOI: 10.7566/Jpsj.86.044801  0.407
2016 Bacchi M, Veinberg E, Field MJ, Niklas J, Matsui T, Tiede DM, Poluektov OG, Ikeda-Saito M, Fontecave M, Artero V. Artificial Hydrogenases Based on Cobaloximes and Heme Oxygenase. Chempluschem. 81: 1083-1089. PMID 31964078 DOI: 10.1002/Cplu.201600218  0.364
2016 Bhattacharjee N, Feliks M, Shaik MM, Field MJ. Catalytic Mechanism of Peptidoglycan Deacetylase: A Computational Study. The Journal of Physical Chemistry. B. PMID 28026178 DOI: 10.1021/Acs.Jpcb.6B10625  0.428
2016 Feliks M, Lafaye C, Shu X, Royant A, Field M. Structural Determinants of Improved Fluorescence in a Family of Bacteriophytochrome-Based Infrared Fluorescent Proteins: Insights from Continuum Electrostatic Calculations and Molecular Dynamics Simulations. Biochemistry. PMID 27471775 DOI: 10.1021/Acs.Biochem.6B00295  0.376
2016 Bhattacharjee N, Field MJ, Simorre JP, Arthur M, Bougault CM. Hybrid Potential Simulation of the Acylation of Enterococcus faecium l,d-Transpeptidase by Carbapenems. The Journal of Physical Chemistry. B. PMID 27196382 DOI: 10.1021/Acs.Jpcb.6B02836  0.338
2016 Aleksandrov A, Palencia A, Cusack S, Field M. Aminoacetylation Reaction Catalyzed by Leucyl-tRNA Synthetase Operates via a Self-Assisted Mechanism Using a Conserved Residue and the Aminoacyl Substrate. The Journal of Physical Chemistry. B. 120: 4388-98. PMID 27115861 DOI: 10.1021/Acs.Jpcb.6B02387  0.411
2015 Zarkadoulas A, Field MJ, Papatriantafyllopoulou C, Fize J, Artero V, Mitsopoulou CA. Experimental and Theoretical Insight into Electrocatalytic Hydrogen Evolution with Nickel Bis(aryldithiolene) Complexes as Catalysts. Inorganic Chemistry. PMID 26645557 DOI: 10.1021/Acs.Inorgchem.5B02000  0.311
2015 Feliks M, Field MJ. Pcetk: A pDynamo-based Toolkit for Protonation State Calculations in Proteins. Journal of Chemical Information and Modeling. 55: 2288-96. PMID 26391627 DOI: 10.1021/Acs.Jcim.5B00262  0.341
2015 Zhang R, Bhattacharjee A, Field MJ, Salahub DR. Multiple proton relay routes in the reaction mechanism of RNAP II: assessing the effect of structural model. Proteins. 83: 268-81. PMID 25412829 DOI: 10.1002/Prot.24732  0.409
2015 Sanchez-Martinez M, Field M, Crehuet R. Enzymatic minimum free energy path calculations using swarms of trajectories. The Journal of Physical Chemistry. B. 119: 1103-13. PMID 25286154 DOI: 10.1021/Jp506593T  0.709
2014 Liu M, Wang Y, Chen Y, Field MJ, Gao J. QM/MM through the 1990s: The First Twenty Years of Method Development and Applications. Israel Journal of Chemistry. 54: 1250-1263. PMID 29386687 DOI: 10.1002/Ijch.201400036  0.443
2014 Crous W, Field MJ, Naidoo KJ. Simple Link Atom Saccharide Hybrid (SLASH) Treatment for Glycosidic Bonds at the QM/MM Boundary. Journal of Chemical Theory and Computation. 10: 1727-38. PMID 26580381 DOI: 10.1021/Ct400903N  0.33
2014 Bhattacharjee A, Chavarot-Kerlidou M, Dempsey JL, Gray HB, Fujita E, Muckerman JT, Fontecave M, Artero V, Arantes GM, Field MJ. Theoretical modeling of low-energy electronic absorption bands in reduced cobaloximes. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 15: 2951-8. PMID 25113847 DOI: 10.1002/Cphc.201402398  0.337
2014 Bacchi M, Berggren G, Niklas J, Veinberg E, Mara MW, Shelby ML, Poluektov OG, Chen LX, Tiede DM, Cavazza C, Field MJ, Fontecave M, Artero V. Cobaloxime-based artificial hydrogenases. Inorganic Chemistry. 53: 8071-82. PMID 25029381 DOI: 10.1021/Ic501014C  0.367
2014 Bhattacharjee A, Weiss AK, Artero V, Field MJ, Hofer TS. Electronic structure and hydration of tetramine cobalt hydride complexes. The Journal of Physical Chemistry. B. 118: 5551-61. PMID 24823262 DOI: 10.1021/Jp502651S  0.379
2014 Jackson CJ, Coppin CW, Carr PD, Aleksandrov A, Wilding M, Sugrue E, Ubels J, Paks M, Newman J, Peat TS, Russell RJ, Field M, Weik M, Oakeshott JG, Scott C. 300-Fold increase in production of the Zn2+-dependent dechlorinase TrzN in soluble form via apoenzyme stabilization. Applied and Environmental Microbiology. 80: 4003-11. PMID 24771025 DOI: 10.1128/Aem.00916-14  0.346
2014 Aleksandrov A, Zvereva E, Field MJ. The Mechanism of Citryl-Coenzyme A Formation Catalyzed by Citrate Synthase Journal of Physical Chemistry B. 118: 4505-4513. PMID 24720842 DOI: 10.1021/Jp412346G  0.455
2014 Wymore T, Field MJ, Langan P, Smith JC, Parks JM. Hydrolysis of DFP and the nerve agent (S)-sarin by DFPase proceeds along two different reaction pathways: implications for engineering bioscavengers. The Journal of Physical Chemistry. B. 118: 4479-89. PMID 24720808 DOI: 10.1021/Jp410422C  0.517
2014 Shaik MM, Bhattacharjee N, Bhattacharjee A, Field MJ, Zanotti G. Characterization of the divalent metal binding site of bacterial polysaccharide deacetylase using crystallography and quantum chemical calculations. Proteins. 82: 1311-8. PMID 24346839 DOI: 10.1002/Prot.24497  0.326
2013 Hamdane D, Bruch E, Un S, Field M, Fontecave M. Activation of a unique flavin-dependent tRNA-methylating agent. Biochemistry. 52: 8949-56. PMID 24228791 DOI: 10.1021/Bi4013879  0.301
2013 Sanchez-Martinez M, Marcos E, Tauler R, Field M, Crehuet R. Conformational compression and barrier height heterogeneity in the N-acetylglutamate kinase. The Journal of Physical Chemistry. B. 117: 14261-72. PMID 24147751 DOI: 10.1021/Jp407016V  0.774
2013 Bachega JF, Timmers LF, Assirati L, Bachega LR, Field MJ, Wymore T. GTKDynamo: a PyMOL plug-in for QC/MM hybrid potential simulations. Journal of Computational Chemistry. 34: 2190-6. PMID 24137667 DOI: 10.1002/Jcc.23346  0.372
2013 Bhattacharjee A, Andreiadis ES, Chavarot-Kerlidou M, Fontecave M, Field MJ, Artero V. A computational study of the mechanism of hydrogen evolution by cobalt(diimine-dioxime) catalysts. Chemistry (Weinheim An Der Bergstrasse, Germany). 19: 15166-74. PMID 24105795 DOI: 10.1002/Chem.201301860  0.331
2013 Baggioli A, Crescenzi O, Field MJ, Castiglione F, Raos G. Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models. Physical Chemistry Chemical Physics : Pccp. 15: 1130-40. PMID 23223608 DOI: 10.1039/C2Cp43021E  0.37
2012 Bhattacharjee A, Chavarot-Kerlidou M, Andreiadis ES, Fontecave M, Field MJ, Artero V. Combined experimental-theoretical characterization of the hydrido-cobaloxime [HCo(dmgH)2(PnBu3)]. Inorganic Chemistry. 51: 7087-93. PMID 22712692 DOI: 10.1021/Ic2024204  0.307
2012 Nasiri R, Field MJ, Zahedi M, Moosavi-Movahedi AA. Comparative DFT study to determine if α-oxoaldehydes are precursors for pentosidine formation. The Journal of Physical Chemistry. A. 116: 2986-96. PMID 22335775 DOI: 10.1021/Jp2104165  0.323
2012 Colletier JP, Aleksandrov A, Coquelle N, Mraihi S, Mendoza-Barberá E, Field M, Madern D. Sampling the conformational energy landscape of a hyperthermophilic protein by engineering key substitutions. Molecular Biology and Evolution. 29: 1683-94. PMID 22319152 DOI: 10.1093/Molbev/Mss015  0.355
2011 Roy A, Field MJ, Adam V, Bourgeois D. The nature of transient dark states in a photoactivatable fluorescent protein Journal of the American Chemical Society. 133: 18586-18589. PMID 22039963 DOI: 10.1021/Ja2085355  0.311
2011 Nasiri R, Field MJ, Zahedi M, Moosavi-Movahedi AA. Cross-linking mechanisms of arginine and lysine with α,β-dicarbonyl compounds in aqueous solution. The Journal of Physical Chemistry. A. 115: 13542-55. PMID 21970517 DOI: 10.1021/Jp205558D  0.335
2011 Aleksandrov A, Field M. Efficient solvent boundary potential for hybrid potential simulations. Physical Chemistry Chemical Physics : Pccp. 13: 10503-9. PMID 21387031 DOI: 10.1039/c0cp02828b  0.319
2010 Marcos E, Field MJ, Crehuet R. Pentacoordinated phosphorus revisited by high-level QM/MM calculations. Proteins. 78: 2405-11. PMID 20602355 DOI: 10.1002/Prot.22758  0.776
2010 Vaccaro L, Artero V, Canaguier S, Fontecave M, Field MJ. Mechanism of hydrogen evolution catalyzed by NiFe hydrogenases: insights from a Ni-Ru model compound. Dalton Transactions (Cambridge, England : 2003). 39: 3043-9. PMID 20221538 DOI: 10.1039/B912690B  0.325
2010 Hagiwara Y, Field MJ, Nureki O, Tateno M. Editing mechanism of aminoacyl-tRNA synthetases operates by a hybrid ribozyme/protein catalyst. Journal of the American Chemical Society. 132: 2751-8. PMID 20136139 DOI: 10.1021/Ja9095208  0.411
2009 Lelimousin M, Adam V, Nienhaus GU, Bourgeois D, Field MJ. Photoconversion of the fluorescent protein EosFP: A hybrid potential simulation study reveals intersystem crossings Journal of the American Chemical Society. 131: 16814-16823. PMID 19886627 DOI: 10.1021/Ja905380Y  0.366
2009 Lelimousin M, Noirclerc-Savoye M, Lazareno-Saez C, Paetzold B, Le Vot S, Chazal R, Macheboeuf P, Field MJ, Bourgeois D, Royant A. Intrinsic dynamics in ECFP and Cerulean control fluorescence quantum yield. Biochemistry. 48: 10038-46. PMID 19754158 DOI: 10.1021/Bi901093W  0.358
2009 Canaguier S, Vaccaro L, Artero V, Ostermann R, Pécaut J, Field MJ, Fontecave M. Cyclopentadienyl ruthenium-nickel catalysts for biomimetic hydrogen evolution: electrocatalytic properties and mechanistic DFT studies. Chemistry (Weinheim An Der Bergstrasse, Germany). 15: 9350-64. PMID 19670195 DOI: 10.1002/Chem.200900854  0.331
2009 Roy S, Goedecker S, Field MJ, Penev E. A minima hopping study of all-atom protein folding and structure prediction. The Journal of Physical Chemistry. B. 113: 7315-21. PMID 19391598 DOI: 10.1021/Jp8106793  0.402
2008 Field MJ. The pDynamo Program for Molecular Simulations using Hybrid Quantum Chemical and Molecular Mechanical Potentials. Journal of Chemical Theory and Computation. 4: 1151-61. PMID 26636368 DOI: 10.1021/Ct800092P  0.35
2007 Lepsík M, Field MJ. Binding of calcium and other metal ions to the EF-hand loops of calmodulin studied by quantum chemical calculations and molecular dynamics simulations. The Journal of Physical Chemistry. B. 111: 10012-22. PMID 17661504 DOI: 10.1021/Jp0716583  0.322
2007 Crehuet R, Field MJ. A transition path sampling study of the reaction catalyzed by the enzyme chorismate mutase. The Journal of Physical Chemistry. B. 111: 5708-18. PMID 17474768 DOI: 10.1021/Jp067629U  0.69
2007 Puig E, Garcia-Viloca M, Gonzalez-Lafont A, Lluch JM, Field MJ. New insights into the reaction mechanism catalyzed by the glutamate racemase enzyme: pH titration curves and classical molecular dynamics simulations. The Journal of Physical Chemistry. B. 111: 2385-97. PMID 17286428 DOI: 10.1021/Jp066350A  0.409
2006 Thomas A, Field MJ. A comparative QM/MM simulation study of the reaction mechanisms of human and Plasmodium falciparum HG(X)PRTases. Journal of the American Chemical Society. 128: 10096-102. PMID 16881638 DOI: 10.1021/Ja060823+  0.418
2006 Suárez D, Díaz N, Fontecilla-Camps J, Field MJ. A computational study of the deacylation mechanism of human butyrylcholinesterase. Biochemistry. 45: 7529-43. PMID 16768449 DOI: 10.1021/Bi052176P  0.453
2005 Crehuet R, Thomas A, Field MJ. An implementation of the nudged elastic band algorithm and application to the reaction mechanism of HGXPRTase from Plasmodium falciparum. Journal of Molecular Graphics & Modelling. 24: 102-10. PMID 15951211 DOI: 10.1016/J.Jmgm.2005.05.003  0.67
2005 Amara P, Volbeda A, Fontecilla-Camps JC, Field MJ. A quantum chemical study of the reaction mechanism of acetyl-coenzyme a synthase. Journal of the American Chemical Society. 127: 2776-84. PMID 15725036 DOI: 10.1021/Ja0439221  0.318
2005 Suárez D, Field MJ. Molecular dynamics simulations of human butyrylcholinesterase. Proteins. 59: 104-17. PMID 15696543 DOI: 10.1002/Prot.20398  0.429
2005 Rinaldo D, Vita C, Field MJ. Engineering strontium binding affinity in an EF-hand motif: a quantum chemical and molecular dynamics study. Journal of Biomolecular Structure & Dynamics. 22: 281-97. PMID 15473703 DOI: 10.1080/07391102.2004.10507001  0.393
2004 Crehuet R, Field MJ, Pellegrini E. Transition events in one dimension. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 012101. PMID 14995655 DOI: 10.1103/Physreve.69.012101  0.648
2004 Díaz N, Field MJ. Insights into the phosphoryl-transfer mechanism of cAMP-dependent protein kinase from quantum chemical calculations and molecular dynamics simulations. Journal of the American Chemical Society. 126: 529-42. PMID 14719950 DOI: 10.1021/Ja037277U  0.43
2003 Pellegrini E, Field MJ. Development and testing of a de novo drug-design algorithm. Journal of Computer-Aided Molecular Design. 17: 621-41. PMID 15068363 DOI: 10.1023/B:Jcam.0000017362.66268.D5  0.306
2003 Oliva M, Dideberg O, Field MJ. Understanding the acylation mechanisms of active-site serine penicillin-recognizing proteins: a molecular dynamics simulation study. Proteins. 53: 88-100. PMID 12945052 DOI: 10.1002/Prot.10450  0.346
2003 Crehuet R, Field MJ. Comment on "Action-derived molecular dynamics in the study of rare events". Physical Review Letters. 90: 089801; author reply. PMID 12633474 DOI: 10.1103/Physrevlett.90.089801  0.634
2003 Wymore T, Deerfield DW, Field MJ, Hempel J, Nicholas HB. Initial catalytic events in class 3 aldehyde dehydrogenase: MM and QM/MM simulations. Chemico-Biological Interactions. 143: 75-84. PMID 12604191 DOI: 10.1016/S0009-2797(02)00175-8  0.429
2003 Crehuet R, Field MJ. A temperature-dependent nudged-elastic-band algorithm The Journal of Chemical Physics. 118: 9563-9571. DOI: 10.1063/1.1571817  0.635
2003 Amara P, Field MJ. Evaluation of an ab initio quantum mechanical/molecular mechanical hybrid-potential link-atom method Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 109: 43-52. DOI: 10.1007/S00214-002-0413-3  0.337
2002 Bret C, Roth M, Nørager S, Hatchikian EC, Field MJ. Molecular dynamics study of Desulfovibrio africanus cytochrome c3 in oxidized and reduced forms. Biophysical Journal. 83: 3049-65. PMID 12496077 DOI: 10.1016/S0006-3495(02)75310-1  0.418
2002 Thomas A, Field MJ. Reaction mechanism of the HGXPRTase from Plasmodium falciparum: a hybrid potential quantum mechanical/molecular mechanical study. Journal of the American Chemical Society. 124: 12432-8. PMID 12381183 DOI: 10.1021/Ja0206846  0.426
2002 Field MJ. Simulating enzyme reactions: challenges and perspectives. Journal of Computational Chemistry. 23: 48-58. PMID 11913389 DOI: 10.1002/Jcc.1156  0.35
2002 Pellegrini E, Field MJ. A Generalized-Born Solvation Model for Macromolecular Hybrid-Potential Calculations The Journal of Physical Chemistry A. 106: 1316-1326. DOI: 10.1021/Jp0135050  0.375
2001 Roche O, Field MJ. Theoretical study of the conformation of the lipoamide arm in a mutant H protein. Proteins. 45: 237-40. PMID 11599027 DOI: 10.1002/Prot.1144  0.346
2001 Amara P, Andreoletti P, Jouve HM, Field MJ. Ligand diffusion in the catalase from Proteus mirabilis: a molecular dynamics study. Protein Science : a Publication of the Protein Society. 10: 1927-35. PMID 11567083 DOI: 10.1110/Ps.14201  0.318
2001 Martí S, Andrés J, Moliner V, Silla E, Tuñón I, Bertrán J, Field MJ. A hybrid potential reaction path and free energy study of the chorismate mutase reaction. Journal of the American Chemical Society. 123: 1709-12. PMID 11456771 DOI: 10.1021/Ja003522N  0.423
2000 Hemmingsen L, Amara P, Ansoborlo E, Field MJ. Importance of Charge Transfer and Polarization Effects for the Modeling of Uranyl−Cation Complexes The Journal of Physical Chemistry A. 104: 4095-4101. DOI: 10.1021/Jp994395O  0.331
2000 Proust-De Martin F, Dumas R, Field MJ. A Hybrid-Potential Free-Energy Study of the Isomerization Step of the Acetohydroxy Acid Isomeroreductase Reaction Journal of the American Chemical Society. 122: 7688-7697. DOI: 10.1021/Ja000414S  0.307
2000 Amara P, Field MJ, Alhambra C, Gao J. The generalized hybrid orbital method for combined quantum mechanical/molecular mechanical calculations: formulation and tests of the analytical derivatives Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta). 104: 336-343. DOI: 10.1007/S002140000153  0.581
2000 Field MJ, Albe M, Bret C, Martin FP, Thomas A. The dynamo library for molecular simulations using hybrid quantum mechanical and molecular mechanical potentials Journal of Computational Chemistry. 21: 1088-1100. DOI: 10.1002/1096-987X(200009)21:12<1088::Aid-Jcc5>3.0.Co;2-8  0.351
1999 Roche O, Hinsen K, Field MJ. Theoretical study of the conformation of the H-protein lipoamide arm as a function of its terminal group. Proteins. 36: 228-37. PMID 10398369 DOI: 10.1002/(Sici)1097-0134(19990801)36:2<228::Aid-Prot8>3.0.Co;2-Q  0.412
1999 Thomas A, Hinsen K, Field MJ, Perahia D. Tertiary and quaternary conformational changes in aspartate transcarbamylase: a normal mode study. Proteins. 34: 96-112. PMID 10336386 DOI: 10.1002/(Sici)1097-0134(19990101)34:1<96::Aid-Prot8>3.0.Co;2-0  0.594
1999 Roche O, Field MJ. Simulations of the T <--> R conformational transition in aspartate transcarbamylase. Protein Engineering. 12: 285-95. PMID 10325398 DOI: 10.1093/Protein/12.4.285  0.407
1999 Hinsen K, Thomas A, Field MJ. Analysis of domain motions in large proteins. Proteins. 34: 369-82. PMID 10024023 DOI: 10.1002/(Sici)1097-0134(19990215)34:3<369::Aid-Prot9>3.0.Co;2-F  0.307
1999 Thomas A, Jourand D, Bret C, Amara P, Field MJ. Is There a Covalent Intermediate in the Viral Neuraminidase Reaction? A Hybrid Potential Free-Energy Study Journal of the American Chemical Society. 121: 9693-9702. DOI: 10.1021/Ja991603H  0.359
1999 Amara P, Volbeda A, Fontecilla-Camps JC, Field MJ. A Hybrid Density Functional Theory/Molecular Mechanics Study of Nickel−Iron Hydrogenase:  Investigation of the Active Site Redox States Journal of the American Chemical Society. 121: 4468-4477. DOI: 10.1021/Ja983971B  0.381
1998 MacKerell AD, Bashford D, Bellott M, Dunbrack RL, Evanseck JD, Field MJ, Fischer S, Gao J, Guo H, Ha S, Joseph-McCarthy D, Kuchnir L, Kuczera K, Lau FT, Mattos C, et al. All-atom empirical potential for molecular modeling and dynamics studies of proteins. The Journal of Physical Chemistry. B. 102: 3586-616. PMID 24889800 DOI: 10.1021/Jp973084F  0.633
1998 Gao J, Amara P, Alhambra C, Field MJ. A Generalized Hybrid Orbital (GHO) Method for the Treatment of Boundary Atoms in Combined QM/MM Calculations The Journal of Physical Chemistry A. 102: 4714-4721. DOI: 10.1021/Jp9809890  0.549
1997 Montet Y, Amara P, Volbeda A, Vernede X, Hatchikian EC, Field MJ, Frey M, Fontecilla-Camps JC. Gas access to the active site of Ni-Fe hydrogenases probed by X-ray crystallography and molecular dynamics. Nature Structural Biology. 4: 523-6. PMID 9228943 DOI: 10.1038/Nsb0797-523  0.32
1996 Thomas A, Field MJ, Perahia D. Analysis of the low-frequency normal modes of the R state of aspartate transcarbamylase and a comparison with the T state modes. Journal of Molecular Biology. 261: 490-506. PMID 8780788 DOI: 10.1006/Jmbi.1996.0478  0.557
1996 Thomas A, Field MJ, Mouawad L, Perahia D. Analysis of the low frequency normal modes of the T-state of aspartate transcarbamylase. Journal of Molecular Biology. 257: 1070-87. PMID 8632469 DOI: 10.1006/Jmbi.1996.0224  0.585
1996 Field M, Gao J. Report for the joint CECAM-NSF planning meeting on hybrid quantum and classical mechanical methods for the simulation of biopolymers in solution (May 9-11, 1995) International Journal of Quantum Chemistry. 60: 1093-1096. DOI: 10.1002/Qua.560600602  0.448
1995 Field MJ. Global optimization usingab initioquantum mechanical potentials and simulated annealing of the classical Liouville equation The Journal of Chemical Physics. 103: 3621-3628. DOI: 10.1063/1.470064  0.358
1995 Micu AM, Durand D, Quilichini M, Field MJ, Smith JC. Collective Vibrations in Crystalline L-Alanine. [Erratum to document cited in CA122:291480] The Journal of Physical Chemistry. 99: 13052-13052. DOI: 10.1021/J100034A056  0.312
1995 Micu AM, Durand D, Quilichini M, Field MJ, Smith JC. Collective Vibrations in Crystalline L-Alanine The Journal of Physical Chemistry. 99: 5645-5657. DOI: 10.1021/J100015A057  0.325
1993 Durand D, Field MJ, Quilichini M, Smith JC. Lattice vibrations in crystalline L-alanine. Biopolymers. 33: 725-33. PMID 8343574 DOI: 10.1002/Bip.360330502  0.41
1992 Karplus M, Evanseck JD, Joseph D, Bash PA, Field MJ. Simulation analysis of triose phosphate isomerase: Conformational transition and catalysis Faraday Discussions. 93: 239-248. PMID 1290934 DOI: 10.1039/Fd9929300239  0.727
1992 Field MJ. Time‐dependent Hartree–Fock simulations of the dynamics of polyatomic molecules The Journal of Chemical Physics. 96: 4583-4590. DOI: 10.1063/1.462794  0.315
1991 Bash PA, Field MJ, Davenport RC, Petsko GA, Ringe D, Karplus M. Computer simulation and analysis of the reaction pathway of triosephosphate isomerase. Biochemistry. 30: 5826-32. PMID 2043624 DOI: 10.1021/Bi00238A003  0.464
1991 Garen J, Field M, Kneller G, Karplus M, Smith J. Torsional motions of methyl and ammonium groups in the L-alanine crystal : a comparison of molecular dynamics and normal mode calculations Journal De Chimie Physique. 88: 2587-2596. DOI: 10.1051/Jcp/1991882587  0.553
1990 Field MJ, Bash PA, Karplus M. A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations Journal of Computational Chemistry. 11: 700-733. DOI: 10.1002/Jcc.540110605  0.455
1987 Bash PA, Field MJ, Karplus M. Free energy perturbation method for chemical reactions in the condensed phase: a dynamic approach based on a combined quantum and molecular mechanics potential Journal of the American Chemical Society. 109: 8092-8094. DOI: 10.1021/Ja00260A028  0.496
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