 WD Cornell, P. Cieplak, CI Bayly, IR Gould, KM Merz Jr., DM Ferguson, DC Spellmeyer, T. Fox, JW Caldwell, and PA Kollman. A second generation force field for the simulation of proteins, nucleic acids and organic molecules.  Química teórica y computacional - Página 523de Juan Andrés Bort - 2001 - 544 páginasVista previa restringida - Acerca de este libro
 | Jerzy Leszczynski - 1997 - 308 páginas
...Weiner, PA Kollman, DT Nguyen and DA Case, J. Comput. Chem. 7 (1986) 230. 7. WD Cornell, P.Cieplak, CI Bayly, IR Gould, KM Merz, Jr., DM Ferguson, DC Spellmeyer, T. Fox, JW Caldwell and PA Kollman, J. Am. Chem. Soc. 117 (1995)5179. 8. L.Nilsson and M.Karplus, J. Comput. Chem. 7 (1986)... | |
 | Jerzy Leszczynski - 1996 - 288 páginas
...States, S. Swaminathan and K. Karplus JComput.Chem. 4 (1983) 187. 112. WD Cornell, P. Cieplak, C I. Bayly, IR Gould, KM Merz, Jr., DM Ferguson, DC Spellmeyer, T. Fox, JW Caldwell and PA Kollman JAm.Chem.Soc. 117 (1995) 117. 113. DA Smith. CW Ulmer II and MJ Gilbert J. Comput. Chem.... | |
 | Anne-Marie Sapse - 1998 - 248 páginas
...113, 1553-1557. 3. Malhotra, A., HA Gabb, and SC Harvey. 1993. Curr. Op. Struct. Biol. 3, 241-246. 4. Cornell, WD, P. Cieplak, CI Bayly, IR Gould, KM Merz,...Jr., DM Ferguson, DC Spellmeyer, T. Fox, JW Caldwell, and PA Kollman. 1995. J. Am. Chem. Soc. 117,5179-5197. 5. Maple, JE, MT Hwang, TP Stockfish, U. Dinur,... | |
 | Susan G. Amara - 1998 - 834 páginas
...Ghio. G. Alagona. S. Profeta. Jr.. and P. Weiner. J. Am. Chem. Soc. 106. 765 (1984). 111 WD Cornell. P. Cieplak. CI Bayly, IR Gould, KM Merz, Jr.. DM Ferguson, DC Spellmeyer. T. Fox, JW Caldwell. and PA Kollman, J. Am. Chem. Soc. 117. 5179 (1995). can also be employed to generate the required libraries.... | |
 | Martin J. Field - 1999 - 346 páginas
...order. The OPLSAA force field uses parts of the all-atom AMBER force field described in • WD Cornell, P. Cieplak, CI Bayly, IR Gould, KM Merz, Jr, DM Ferguson, DC Spellmeyer, T. Fox, JW Caldwell and PA Kollman. 'A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and... | |
 | Marie-Claire Bellissent-Funel - 1999 - 456 páginas
...Comparison with Nonempirical Beyond Hartree-Fock Results." J. Comp. Chem. 1997, 18:1136-1150. [21] Cornell WD, P. Cieplak., CI Bayly, IR Gould, KM Merz Jr., DM Fergusson. DC Spellmeyer, T. Fox, JW Caldwell, and PA Kollman. "A Second Generation Force Field for... | |
 | Oren M. Becker, Alexander D. MacKerell Jr., Benoit Roux, Masakatsu Watanabe - 2001 - 534 páginas
...Watanabe, J Wiorkiewicz-Kuczera, D Yin, M Karplus. J Phys Chem B 102: 3586-3616, 1998. 21. WD Cornell, P Cieplak, CI Bayly, IR Gould, KM Merz Jr, DM Ferguson, DC Spellmeyer, T Fox, JW Caldwell, PA Kollman. J Am Chem Soc 117:5179-5197, 1995. 22. SP Weiner, PA Kollman, DA Case, UC Singh, C Ghio,... | |
 | Thomas R. Cundari - 2001 - 450 páginas
...1994. 33. AP Scott. L Radom. J Phys Chem 100:16502-16513. 1996. 34. WD CornelL P Cieplak. CI Bay ly. IR Gould. KM Merz Jr. DM Ferguson. DC Spellmeyer. T Fox. JW CaldwelL PA Kollman. J Am Chem Soc 1 17:5179-5197. 1995. 35. F Mohamadi. NGJ Richards. WC Guida. R Liskamp.... | |
 | Kenny B. Lipkowitz, Donald B. Boyd - 2003 - 432 páginas
...Modelling Flexible ProteinProtein and Protein-DNA Docking. 77. W. Cornell, P. Cieplak, CI Bayly, R. Gould, KM Merz Jr., DM Ferguson, DC Spellmeyer, T. Fox, JW Caldwell, and PA Kollman,/. Am. Chem. Soc., 117, 5179 (1995). A Second Generation Force Field for the Simulation... | |
 | Tamar Schlick, Hin Hark Gan - 2002 - 526 páginas
...acids, J. Comp. Chem., 7 (1986), pp. 230-252 http : //www . amber . ucsf . edu/amber/ 35. WD CORNELL, P. CIEPLAK, CI BAYLY, IR GOULD, KM MERZ, JR, DM FERGUSON, DC SPELLMEYER, T. Fox, JW CALDWELL AND PA KOLLMAN, A second generation force field for the simulation of proteins and nucleic acids, J.... | |
| |
