TY - JOUR AU - Visse, R. AU - Nagase, H. PY - 2003 DA - 2003// TI - Matrix metalloproteinases and tissue inhibitors of metalloproteinases: structure, function, and biochemistry JO - Circ Res VL - 92 UR - https://doi.org/10.1161/01.RES.0000070112.80711.3D DO - 10.1161/01.RES.0000070112.80711.3D ID - Visse2003 ER - TY - JOUR AU - Takaishi, H. AU - Kimura, T. AU - Dalal, S. AU - Okada, Y. AU - D’Armiento, J. PY - 2008 DA - 2008// TI - Joint diseases and matrix metalloproteinases: a role for MMP-13 JO - Curr Pharm Biotechnol VL - 9 UR - https://doi.org/10.2174/138920108783497659 DO - 10.2174/138920108783497659 ID - Takaishi2008 ER - TY - JOUR AU - Matchar, D. B. AU - McCrory, D. C. AU - Orlando, L. A. AU - Patel, M. R. AU - Patel, U. D. AU - Patwardhan, M. B. AU - Powers, B. AU - Samsa, G. P. AU - Gray, R. N. PY - 2008 DA - 2008// TI - Systematic review: comparative effectiveness of angiotensin-converting enzyme inhibitors and angiotensin II receptor blockers for treating essential hypertension JO - Ann Intern Med VL - 148 UR - https://doi.org/10.7326/0003-4819-148-1-200801010-00189 DO - 10.7326/0003-4819-148-1-200801010-00189 ID - Matchar2008 ER - TY - JOUR AU - Doulton, T. W. R. AU - He, F. J. AU - MacGregor, G. A. PY - 2005 DA - 2005// TI - Systematic review of combined angiotensin-converting enzyme inhibition and angiotensin receptor blockade in hypertension JO - Hypertens VL - 45 UR - https://doi.org/10.1161/01.HYP.0000161880.59963.da DO - 10.1161/01.HYP.0000161880.59963.da ID - Doulton2005 ER - TY - JOUR AU - Turner, A. J. AU - Isaac, R. E. AU - Coates, D. PY - 2001 DA - 2001// TI - The neprilysin (NEP) family of zinc metalloendopeptidases: genomics and function JO - BioEssays VL - 23 UR - https://doi.org/3.0.CO;2-K DO - 3.0.CO;2-K ID - Turner2001 ER - TY - JOUR AU - Molinaro, G. AU - Rouleau, J. L. AU - Adam, A. PY - 2002 DA - 2002// TI - Vasopeptidase inhibitors: a new class of dual zinc metallopeptidase inhibitors for cardiorenal therapeutics JO - Curr Opin Pharmacol VL - 2 UR - https://doi.org/10.1016/S1471-4892(02)00138-8 DO - 10.1016/S1471-4892(02)00138-8 ID - Molinaro2002 ER - TY - JOUR AU - Whitworth, J. A. PY - 2003 DA - 2003// TI - Emerging drugs in the management of hypertension JO - Expert Opin Emerg Drugs VL - 8 UR - https://doi.org/10.1517/14728214.8.2.377 DO - 10.1517/14728214.8.2.377 ID - Whitworth2003 ER - TY - JOUR AU - Rawlings, N. D. AU - Morton, F. R. AU - Barrett, A. J. PY - 2006 DA - 2006// TI - MEROPS: the peptidase database JO - Nucleic Acid Res VL - 34 UR - https://doi.org/10.1093/nar/gkj089 DO - 10.1093/nar/gkj089 ID - Rawlings2006 ER - TY - JOUR AU - Roques, B. P. AU - Noble, F. AU - Dauge, V. AU - Fournie-Zaluski, M. C. AU - Beaumont, A. PY - 1993 DA - 1993// TI - Neutral endopeptidase 24.11: structure, inhibition, and experimental and clinical pharmacology JO - Pharmacol Rev VL - 45 ID - Roques1993 ER - TY - JOUR AU - Ouimet, T. AU - Facchinetti, P. AU - Rose, C. AU - Bonhomme, M. C. AU - Gros, C. AU - Schwartz, J. C. PY - 2000 DA - 2000// TI - Neprilysin II: A putative novel metalloprotease and its isoforms in CNS and testis JO - Biochem Biophys Res Commun VL - 271 UR - https://doi.org/10.1006/bbrc.2000.2664 DO - 10.1006/bbrc.2000.2664 ID - Ouimet2000 ER - TY - JOUR AU - Ikeda, K. AU - Emoto, N. AU - Raharjo, S. B. AU - Nurhantari, Y. AU - Saiki, K. AU - Yokoyama, M. AU - Matsuo, M. PY - 1999 DA - 1999// TI - Molecular identification and characterization of novel membrane-bound metalloprotease, the soluble secreted form of which hydrolyzes a variety of vasoactive peptides JO - J Biol Chem VL - 274 UR - https://doi.org/10.1074/jbc.274.45.32469 DO - 10.1074/jbc.274.45.32469 ID - Ikeda1999 ER - TY - JOUR AU - Ghaddar, G. AU - Ruchon, A. F. AU - Carpentier, M. AU - Marcinkiewicz, M. AU - Seidah, N. G. AU - Crine, P. AU - Desgroseillers, L. AU - Boileau, G. PY - 2000 DA - 2000// TI - Molecular cloning and biochemical characterization of a new mouse testis soluble-zinc-metallopeptidase of the neprilysin family JO - Biochem J VL - 347 UR - https://doi.org/10.1042/bj3470419 DO - 10.1042/bj3470419 ID - Ghaddar2000 ER - TY - JOUR AU - Bonvouloir, N. AU - Lemieux, N. AU - Crine, P. AU - Boileau, G. AU - DesGroseillers, L. PY - 2001 DA - 2001// TI - Molecular cloning, tissue distribution, and chromosomal localization of MMEL2, a gene coding for a novel human member of the neutral endopeptidase-24.11 family JO - DNA Cell Biol VL - 20 UR - https://doi.org/10.1089/104454901316976127 DO - 10.1089/104454901316976127 ID - Bonvouloir2001 ER - TY - JOUR AU - Xu, D. AU - Emoto, N. AU - Giaid, A. AU - Slaughter, C. AU - Kaw, S. AU - DeWit, D. AU - Yanagisawa, M. PY - 1994 DA - 1994// TI - ECE-1: a membrane-bound metalloprotease that catalyzes the proteolytic activation of big endothelin-1 JO - Cell VL - 78 UR - https://doi.org/10.1016/0092-8674(94)90425-1 DO - 10.1016/0092-8674(94)90425-1 ID - Xu1994 ER - TY - JOUR AU - Emoto, N. AU - Yanagisawa, M. PY - 1995 DA - 1995// TI - Endothelin-converting enzyme-2 is a membrane bound, phosphoramidon-sensitive metalloprotease with acidic pH optimum JO - J Biol Chem VL - 70 UR - https://doi.org/10.1074/jbc.270.25.15262 DO - 10.1074/jbc.270.25.15262 ID - Emoto1995 ER - TY - JOUR AU - Lee, S. AU - Zambas, E. D. AU - Marsh, W. L. AU - Redman, C. M. PY - 1991 DA - 1991// TI - Molecular cloning and primary structure of Kell blood group protein JO - Proc Natl Acad Sci USA VL - 88 UR - https://doi.org/10.1073/pnas.88.14.6353 DO - 10.1073/pnas.88.14.6353 ID - Lee1991 ER - TY - JOUR AU - Francis, F. AU - Hennig, S. AU - Korn, B. AU - Reinhardt, R. AU - Jong, P. D. AU - Poustka, A. AU - Lehrach, H. AU - Rowe, P. S. N. AU - Goulding, J. N. AU - Summerfield, T. PY - 1995 DA - 1995// TI - A gene (PEX) with homologies to endopeptidases is mutated in patients with X–linked hypophosphatemic rickets JO - Nat Genet VL - 11 UR - https://doi.org/10.1038/ng1095-130 DO - 10.1038/ng1095-130 ID - Francis1995 ER - TY - JOUR AU - Valdenaire, O. AU - Richards, J. G. AU - Faull, R. L. M. AU - Schweizer, A. PY - 1999 DA - 1999// TI - XCE, a new member of the endothelin-converting enzyme and neutral endopeptidase family, is preferentially expressed in the CNS JO - Mol Brain Res VL - 64 UR - https://doi.org/10.1016/S0169-328X(98)00321-0 DO - 10.1016/S0169-328X(98)00321-0 ID - Valdenaire1999 ER - TY - JOUR AU - Valdenaire, O. AU - Rohrbacher, E. AU - Langeveld, A. AU - Schweizer, A. AU - Meijers, C. PY - 2000 DA - 2000// TI - Organization and chromosomal localization of the human ECEL1 (XCE) gene encoding a zinc metallopeptidase involved in the nervous control of respiration JO - Biochem J VL - 346 UR - https://doi.org/10.1042/bj3460611 DO - 10.1042/bj3460611 ID - Valdenaire2000 ER - TY - JOUR AU - Kiryu-Seo, S. AU - Sasaki, M. AU - Yokohama, H. AU - Nakagomi, S. AU - Hirayama, T. AU - Aoki, S. AU - Wada, K. AU - Kiyama, H. PY - 2000 DA - 2000// TI - Damage-induced neuronal endopeptidase (DINE) is a unique metallopeptidase expressed in response to neuronal damage and activates superoxide scavengers JO - Proc Natl Acad Sci USA VL - 97 UR - https://doi.org/10.1073/pnas.070509897 DO - 10.1073/pnas.070509897 ID - Kiryu-Seo2000 ER - TY - JOUR AU - Schweizer, A. AU - Valdenaire, O. AU - Koster, A. AU - Lang, Y. AU - Schmitt, G. AU - Lenz, B. AU - Bluethmann, H. AU - Rohrer, J. PY - 1999 DA - 1999// TI - Neonatal lethality in mice deficient in XCE, a novel member of the endothelin-converting enzyme and neutral endopeptidase family JO - J Biol Chem VL - 274 UR - https://doi.org/10.1074/jbc.274.29.20450 DO - 10.1074/jbc.274.29.20450 ID - Schweizer1999 ER - TY - JOUR AU - Benoit, A. AU - Vargas, M. A. AU - Desgroseillers, L. AU - Boileau, G. PY - 2004 DA - 2004// TI - Endothelin-converting enzyme-like 1 (ECEL1) is present both in the plasma membrane and in the endoplasmic reticulum JO - Biochem J VL - 380 UR - https://doi.org/10.1042/bj20040215 DO - 10.1042/bj20040215 ID - Benoit2004 ER - TY - JOUR AU - Kiryu-Seo, S. AU - Kiyama, H. PY - 2004 DA - 2004// TI - DINE (damage-induced neuronal endopeptidase) JO - Protein Pept Lett VL - 11 UR - https://doi.org/10.2174/0929866043406526 DO - 10.2174/0929866043406526 ID - Kiryu-Seo2004 ER - TY - JOUR AU - Bedecs, K. AU - Langel, U. AU - Bartfai, T. PY - 1995 DA - 1995// TI - Metabolism of galanin and galanin (1–16) in isolated cerebrospinal fluid and spinal cord membranes from rat JO - Neuropeptides VL - 29 UR - https://doi.org/10.1016/0143-4179(95)90015-2 DO - 10.1016/0143-4179(95)90015-2 ID - Bedecs1995 ER - TY - JOUR AU - Shimada, K. AU - Takahashi, M. AU - Turner, A. J. AU - Tanzawa, K. PY - 1996 DA - 1996// TI - Rat endothelin-converting enzyme-1 forms a dimer through Cys412 with a similar catalytic mechanism and a distinct substrate binding mechanism compared with neutral endopeptidase JO - Biochem J VL - 315 UR - https://doi.org/10.1042/bj3150863 DO - 10.1042/bj3150863 ID - Shimada1996 ER - TY - JOUR AU - Hoang, M. V. AU - Turner, A. J. PY - 1997 DA - 1997// TI - Novel activity of endothelin-converting enzyme: hydrolysis of bradykinin JO - Biochem J VL - 327 UR - https://doi.org/10.1042/bj3270023 DO - 10.1042/bj3270023 ID - Hoang1997 ER - TY - JOUR AU - Johnson, G. D. AU - Stevenson, T. AU - Ahn, K. PY - 1999 DA - 1999// TI - Hydrolysis of peptide hormones by endothelin-converting enzyme-1 JO - J Biol Chem VL - 274 UR - https://doi.org/10.1074/jbc.274.7.4053 DO - 10.1074/jbc.274.7.4053 ID - Johnson1999 ER - TY - JOUR AU - Wiltgen, M. AU - Tilz, P. G. PY - 2009 DA - 2009// TI - Homology modelling: a review about the method on hand of the diabetic antigen GAD 65 structure prediction JO - WMW Wiener Medizinische Wochenschrift VL - 159 UR - https://doi.org/10.1007/s10354-009-0662-z DO - 10.1007/s10354-009-0662-z ID - Wiltgen2009 ER - TY - JOUR AU - Cavasotto, C. N. AU - Phatak, S. S. PY - 2009 DA - 2009// TI - Homology modeling in drug discovery: current trends and applications JO - Drug Discov Today VL - 14 UR - https://doi.org/10.1016/j.drudis.2009.04.006 DO - 10.1016/j.drudis.2009.04.006 ID - Cavasotto2009 ER - TY - JOUR AU - Oefner, C. AU - D’Arcy, A. AU - Hennig, M. AU - Winkler, F. K. AU - Dale, G. E. PY - 2000 DA - 2000// TI - Structure of human neutral endopeptidase (neprilysin) complexed with phosphoramidon JO - J Mol Biol VL - 296 UR - https://doi.org/10.1006/jmbi.1999.3492 DO - 10.1006/jmbi.1999.3492 ID - Oefner2000 ER - TY - JOUR AU - Schulz, H. AU - Dale, G. E. AU - Karimi-Nejad, Y. AU - Oefner, C. PY - 2009 DA - 2009// TI - Structure of human endothelin-converting enzyme I complexed with phosphoramidon JO - J Mol Biol VL - 385 UR - https://doi.org/10.1016/j.jmb.2008.10.052 DO - 10.1016/j.jmb.2008.10.052 ID - Schulz2009 ER - TY - JOUR AU - Song, L. AU - Kalyanaraman, C. AU - Fedorov, A. A. AU - Fedorov, E. AU - Glasner, M. AU - Brown, S. AU - Imker, H. AU - Babbitt, P. AU - Almo, S. AU - Jacobson, M. PY - 2007 DA - 2007// TI - Prediction and assignment of function for a divergent N-succinyl amino acid racemase JO - Nat Chem Biol VL - 3 UR - https://doi.org/10.1038/nchembio.2007.11 DO - 10.1038/nchembio.2007.11 ID - Song2007 ER - TY - JOUR AU - Guimaraes, A. J. AU - Hamilton, A. J. AU - Guedes, H. L. M. AU - Nosanchuk, D. J. D. AU - Zancope-Oliveira, R. PY - 2008 DA - 2008// TI - Biological function and molecular mapping of M antigen in yeast phase of Histoplasma capsulatum JO - PLoS One VL - 3 ID - Guimaraes2008 ER - TY - JOUR AU - Sun, W. AU - Gerth, C. AU - Maeda, A. AU - Lodowski, D. T. AU - Kraak, L. V. D. AU - Saperstein, D. A. AU - Heon, E. AU - Palczewski, K. PY - 2007 DA - 2007// TI - Novel RDH12 mutations associated with Leber congenital amaurosis and cone-rod dystrophy: biochemical and clinical evaluations JO - Vision Res VL - 47 UR - https://doi.org/10.1016/j.visres.2007.04.005 DO - 10.1016/j.visres.2007.04.005 ID - Sun2007 ER - TY - JOUR AU - Proell, M. AU - Riedl, S. J. AU - Fritz, J. H. AU - Rojas, A. M. AU - Schwarzenbacher, R. PY - 2008 DA - 2008// TI - The Nod-like receptor (NLR) family: a tale of similarities and differences JO - PLoS One VL - 3 UR - https://doi.org/10.1371/journal.pone.0002119 DO - 10.1371/journal.pone.0002119 ID - Proell2008 ER - TY - JOUR AU - Larsson, P. AU - Wallner, B. AU - Lindahl, E. AU - Elofsson, A. PY - 2008 DA - 2008// TI - Using multiple templates to improve quality of homology models in automated homology modeling JO - Protein Sci VL - 17 UR - https://doi.org/10.1110/ps.073344908 DO - 10.1110/ps.073344908 ID - Larsson2008 ER - TY - JOUR AU - Okada, K. AU - Arai, Y. AU - Hata, M. AU - Matsuyama, K. AU - Yano, M. PY - 1993 DA - 1993// TI - Big endothelin-1 structure important for specific processing by endothelin-converting enzyme of bovine endothelial cells JO - Eur J Biochem VL - 218 UR - https://doi.org/10.1111/j.1432-1033.1993.tb18401.x DO - 10.1111/j.1432-1033.1993.tb18401.x ID - Okada1993 ER - TY - JOUR AU - Klepeis, J. L. AU - Lindorff-Larsen, K. AU - Dror, R. O. AU - Shaw, D. E. PY - 2009 DA - 2009// TI - Long-timescale molecular dynamics simulations of protein structure and function JO - Curr Opin Struct Biol VL - 19 UR - https://doi.org/10.1016/j.sbi.2009.03.004 DO - 10.1016/j.sbi.2009.03.004 ID - Klepeis2009 ER - TY - JOUR AU - Prez, A. AU - Marchn, I. AU - Svozil, D. AU - Sponer, J. AU - Cheatham, T. E. AU - Laughton, C. A. AU - Orozco, M. PY - 2007 DA - 2007// TI - Refinement of the AMBER force field for nucleic acids: improving the description of conformers JO - Biophys J VL - 92 UR - https://doi.org/10.1529/biophysj.106.097782 DO - 10.1529/biophysj.106.097782 ID - Prez2007 ER - TY - JOUR AU - Sansom, C. E. AU - Hoang, M. V. AU - Turner, A. J. PY - 1998 DA - 1998// TI - Molecular modelling and site-directed mutagenesis of the active site of endothelin-converting enzyme JO - Prot Eng VL - 11 UR - https://doi.org/10.1093/protein/11.12.1235 DO - 10.1093/protein/11.12.1235 ID - Sansom1998 ER - TY - JOUR AU - Johnson, G. D. AU - Swenson, H. R. AU - Ramage, R. AU - Ahn, K. PY - 2002 DA - 2002// TI - Mapping the active site of endothelin-converting enzyme-1 through subsite specificity and mutagenesis studies: a comparison with neprilysin JO - Arch Biochem Biophys VL - 398 UR - https://doi.org/10.1006/abbi.2001.2708 DO - 10.1006/abbi.2001.2708 ID - Johnson2002 ER - TY - JOUR AU - Altschul, S. F. AU - Madden, T. L. AU - Schaffer, A. A. AU - Zhang, J. AU - Zhang, Z. AU - Miller, W. AU - Lipman, D. J. PY - 1997 DA - 1997// TI - Gapped BLAST and PSI-BLAST: a new generation of protein database search programs JO - Nucleic Acid Res VL - 25 UR - https://doi.org/10.1093/nar/25.17.3389 DO - 10.1093/nar/25.17.3389 ID - Altschul1997 ER - TY - JOUR AU - Clamp, M. AU - Cuff, J. AU - Searle, S. M. AU - Barton, G. J. PY - 2004 DA - 2004// TI - The jalview java alignment editor JO - Bioinformatics VL - 20 UR - https://doi.org/10.1093/bioinformatics/btg430 DO - 10.1093/bioinformatics/btg430 ID - Clamp2004 ER - TY - STD TI - Molecular Operating Environment (MOE), 2011.10. Canada: ChemicalComputing Group. Inc; 2011. 1010 Sherbooke St. West, Suite #910 Montreal, QC, H3A 2R7 1010 Sherbooke St. West, Suite #910 Montreal, QC, H3A 2R7 ID - ref44 ER - TY - JOUR AU - Wang, J. AU - Cieplak, P. AU - Kollman, P. A. PY - 2000 DA - 2000// TI - How well does a restrained electrostatic potential (RESP) model perform in calculating conformational energies of organic and biological molecules? JO - J Comput Chem VL - 21 UR - https://doi.org/3.0.CO;2-F DO - 3.0.CO;2-F ID - Wang2000 ER - TY - JOUR AU - Laskowski, R. A. AU - MacArthur, M. W. AU - Moss, D. S. AU - Thornton, J. M. PY - 1993 DA - 1993// TI - PROCHECK: a program to check the stereochemical quality of protein structures JO - J Appl Crystallogr VL - 26 UR - https://doi.org/10.1107/S0021889892009944 DO - 10.1107/S0021889892009944 ID - Laskowski1993 ER - TY - BOOK AU - Frisch, M. J. AU - Trucks, G. W. AU - Schlegel, H. B. AU - Scuseria, G. E. AU - Robb, M. A. AU - Cheeseman, J. R. AU - Scalmani, G. AU - Barone, V. AU - Mennucci, B. AU - Petersson, G. A. PY - 2009 DA - 2009// TI - Gaussian 09, revision A. 02 PB - Gaussian. Inc CY - Wallingford ID - Frisch2009 ER - TY - JOUR AU - Cornell, W. D. AU - Cieplak, P. AU - Bayly, C. I. AU - Kollmann, P. A. PY - 1993 DA - 1993// TI - Application of RESP charges to calculate conformational energies, hydrogen bond energies, and free energies of solvation JO - J Am Chem Soc VL - 115 UR - https://doi.org/10.1021/ja00074a030 DO - 10.1021/ja00074a030 ID - Cornell1993 ER - TY - JOUR AU - Case, D. A. AU - Cheatham, T. E. AU - Darden, T. AU - Gohlke, H. AU - Luo, R. AU - Merz, K. M. AU - Onufriev, A. AU - Simmerling, C. AU - Wang, B. AU - Woods, R. J. PY - 2005 DA - 2005// TI - The Amber biomolecular simulation programs JO - J Comput Chem VL - 26 UR - https://doi.org/10.1002/jcc.20290 DO - 10.1002/jcc.20290 ID - Case2005 ER - TY - JOUR AU - Aqvist, J. AU - Warshel, A. PY - 1990 DA - 1990// TI - Free energy relationships in metalloenzyme-catalyzed reactions. Calculations of the effects of metal ion substitutions in staphylococcal nuclease JO - J Am Chem Soc VL - 112 UR - https://doi.org/10.1021/ja00164a003 DO - 10.1021/ja00164a003 ID - Aqvist1990 ER - TY - JOUR AU - Pang, Y. P. PY - 1999 DA - 1999// TI - Novel zinc protein molecular dynamics simulations: Steps toward antiangiogenesis for cancer treatment JO - J Mol Mod VL - 5 UR - https://doi.org/10.1007/s008940050119 DO - 10.1007/s008940050119 ID - Pang1999 ER - TY - JOUR AU - Pang, Y. P. AU - Xu, K. AU - Yazal, J. E. G. AU - Prendergast, F. PY - 2000 DA - 2000// TI - Successful molecular dynamics simulation of the zinc-bound farnesyltransferase using the cationic dummy atom approach JO - Protein Sci VL - 9 ID - Pang2000 ER - TY - JOUR AU - Pang, Y. P. PY - 2001 DA - 2001// TI - Successful molecular dynamics simulation of two zinc complexes bridged by a hydroxide in phosphotriesterase using the cationic dummy atom method JO - Protein: Struc Func Bioinfo VL - 45 UR - https://doi.org/10.1002/prot.1138 DO - 10.1002/prot.1138 ID - Pang2001 ER - TY - JOUR AU - Yazal, J. E. AU - Pang, Y. P. PY - 1999 DA - 1999// TI - Ab initio calculations of proton dissociation energies of zinc ligands: hypothesis of imidazolate as zinc ligand in proteins JO - J Phys Chem B VL - 103 UR - https://doi.org/10.1021/jp991787m DO - 10.1021/jp991787m ID - Yazal1999 ER - TY - JOUR AU - Yazal, J. E. AU - Roe, R. R. AU - Pang, Y. P. PY - 2000 DA - 2000// TI - Zinc’s affect on proton transfer between imidazole and acetate predicted by ab initio calculations JO - J Phys Chem B VL - 104 UR - https://doi.org/10.1021/jp994283x DO - 10.1021/jp994283x ID - Yazal2000 ER - TY - JOUR AU - Yazal, J. E. AU - Pang, Y. P. PY - 2001 DA - 2001// TI - Comparison of DFT, Møller-Plesset, and coupled cluster calculations of the proton dissociation energies of imidazole and N-methylacetamide in the presence of zinc (II) JO - J Mol Struct (THEOCHEM) VL - 545 UR - https://doi.org/10.1016/S0166-1280(01)00405-5 DO - 10.1016/S0166-1280(01)00405-5 ID - Yazal2001 ER - TY - JOUR AU - Duan, Y. AU - Wu, C. AU - Chowdhury, S. AU - Lee, M. C. AU - Xiong, G. AU - Zhang, W. AU - Yang, R. AU - Cieplak, P. AU - Luo, R. AU - Lee, T. PY - 2003 DA - 2003// TI - A point-charge force field for molecular mechanics simulations of proteins based on condensed-phase quantum mechanical calculations JO - J Comput Chem VL - 24 UR - https://doi.org/10.1002/jcc.10349 DO - 10.1002/jcc.10349 ID - Duan2003 ER - TY - JOUR AU - Wang, J. AU - Wolf, R. M. AU - Caldwell, J. W. AU - Kollman, P. A. AU - Case, D. A. PY - 2004 DA - 2004// TI - Development and testing of a general amber force field JO - J Comput Chem VL - 25 UR - https://doi.org/10.1002/jcc.20035 DO - 10.1002/jcc.20035 ID - Wang2004 ER - TY - JOUR AU - Miyamoto, S. AU - Kollman, P. A. PY - 1992 DA - 1992// TI - SETTLE: an analytical version of the SHAKE and RATTLE algorithm for rigid water models JO - J Comput Chem VL - 13 UR - https://doi.org/10.1002/jcc.540130805 DO - 10.1002/jcc.540130805 ID - Miyamoto1992 ER - TY - JOUR AU - Berendsen, H. J. C. AU - Postma, J. P. M. AU - Gunsteren, W. F. V. AU - DiNola, A. AU - Haak, J. R. PY - 1984 DA - 1984// TI - Molecular dynamics with coupling to an external bath JO - J Chem Phys VL - 81 UR - https://doi.org/10.1063/1.448118 DO - 10.1063/1.448118 ID - Berendsen1984 ER - TY - JOUR AU - Darden, T. AU - York, D. AU - Pedersen, L. PY - 1993 DA - 1993// TI - Particle mesh Ewald: An N log (N) method for Ewald sums in large systems JO - J Chem Phys VL - 98 UR - https://doi.org/10.1063/1.464397 DO - 10.1063/1.464397 ID - Darden1993 ER - TY - JOUR AU - Essmann, U. AU - Perera, L. AU - Berkowitz, M. L. AU - Darden, T. AU - Lee, H. AU - Pedersen, L. G. PY - 1995 DA - 1995// TI - A smooth particle mesh Ewald method JO - J Chem Phys VL - 103 UR - https://doi.org/10.1063/1.470117 DO - 10.1063/1.470117 ID - Essmann1995 ER - TY - JOUR AU - Pettersen, E. F. AU - Goddard, T. D. AU - Huang, C. C. AU - Couch, G. S. AU - Greenblatt, D. M. AU - Meng, E. C. AU - Ferrin, T. E. PY - 2004 DA - 2004// TI - UCSF Chimeraa visualization system for exploratory research and analysis JO - J Comput Chem VL - 25 UR - https://doi.org/10.1002/jcc.20084 DO - 10.1002/jcc.20084 ID - Pettersen2004 ER - TY - JOUR AU - Humphrey, W. AU - Dalke, A. AU - Schulten, K. PY - 1996 DA - 1996// TI - VMD: visual molecular dynamics JO - J Mol Graph VL - 14 UR - https://doi.org/10.1016/0263-7855(96)00018-5 DO - 10.1016/0263-7855(96)00018-5 ID - Humphrey1996 ER - TY - JOUR AU - Kabsch, W. AU - Sander, C. PY - 1983 DA - 1983// TI - Dictionary of protein secondary structure: pattern recognition of hydrogen-bonded and geometrical features JO - Biopolymers VL - 22 UR - https://doi.org/10.1002/bip.360221211 DO - 10.1002/bip.360221211 ID - Kabsch1983 ER -