Authors:
SRINIVASAN J
CHEATHAM TE
CIEPLAK P
KOLLMAN PA
CASE DA
Citation: J. Srinivasan et al., CONTINUUM SOLVENT STUDIES OF THE STABILITY OF DNA, RNA, AND PHOSPHORAMIDATE - DNA HELICES, Journal of the American Chemical Society, 120(37), 1998, pp. 9401-9409
Citation: P. Cieplak et al., MOLECULAR-DYNAMICS SIMULATIONS FIND THAT 3' PHOSPHORAMIDATE MODIFIED DNA DUPLEXES UNDERGO A B-TRANSITION TO A-TRANSITION AND NORMAL DNA DUPLEXES AN A-TRANSITION TO B-TRANSITION, Journal of the American Chemical Society, 119(29), 1997, pp. 6722-6730
Authors:
CIEPLAK P
HOWARD AE
POWERS JP
RYCHNOVSKY SD
KOLLMAN PA
Citation: P. Cieplak et al., ELUCIDATING THE ORIGIN OF CONFORMATIONAL ENERGY DIFFERENCES IN SUBSTITUTED 1,3-DIOXANES - A COMBINED THEORETICAL AND EXPERIMENTAL-STUDY, Journal of organic chemistry, 61(11), 1996, pp. 3662-3668
Authors:
CORNELL WD
CIEPLAK P
BAYLY CI
GOULD IR
MERZ KM
FERGUSON DM
SPELLMEYER DC
FOX T
CALDWELL JW
KOLLMAN PA
Citation: Wd. Cornell et al., A SECOND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES (VOL 117, PG 5179, 1995), Journal of the American Chemical Society, 118(9), 1996, pp. 2309-2309
Citation: Ae. Howard et al., A MOLECULAR MECHANICAL MODEL THAT REPRODUCES THE RELATIVE ENERGIES FOR CHAIR AND TWIST-BOAT CONFORMATIONS OF 1,3-DIOXANES, Journal of computational chemistry, 16(2), 1995, pp. 243-261
Citation: P. Cieplak et al., APPLICATION OF THE MULTIMOLECULE AND MULTICONFORMATIONAL RESP METHODOLOGY TO BIOPOLYMERS - CHARGE DERIVATION FOR DNA, RNA, AND PROTEINS, Journal of computational chemistry, 16(11), 1995, pp. 1357-1377
Authors:
CORNELL WD
CIEPLAK P
BAYLY CI
GOULD IR
MERZ KM
FERGUSON DM
SPELLMEYER DC
FOX T
CALDWELL JW
KOLLMAN PA
Citation: Wd. Cornell et al., A 2ND GENERATION FORCE-FIELD FOR THE SIMULATION OF PROTEINS, NUCLEIC-ACIDS, AND ORGANIC-MOLECULES, Journal of the American Chemical Society, 117(19), 1995, pp. 5179-5197
Citation: P. Cieplak et al., WALKING ON THE FREE-ENERGY HYPERSURFACE OF THE 18-CROWN-6 ION SYSTEM USING FREE-ENERGY DERIVATIVES, The Journal of chemical physics, 101(1), 1994, pp. 627-633
Citation: Ec. Meng et al., ACCURATE SOLVATION FREE-ENERGIES OF ACETATE AND METHYLAMMONIUM IONS CALCULATED WITH A POLARIZABLE WATER MODEL, Journal of the American Chemical Society, 116(26), 1994, pp. 12061-12062
Citation: P. Cieplak et Pa. Kollman, PEPTIDE MIMETICS AS ENZYME-INHIBITORS - USE OF FREE-ENERGY PERTURBATION CALCULATIONS TO EVALUATE ISOSTERIC REPLACEMENT FOR AMIDE BONDS IN APOTENT HIV PROTEASE INHIBITOR, Journal of computer-aided molecular design, 7(3), 1993, pp. 291-304
Citation: Ci. Bayly et al., A WELL-BEHAVED ELECTROSTATIC POTENTIAL BASED METHOD USING CHARGE RESTRAINTS FOR DERIVING ATOMIC CHARGES - THE RESP MODEL, Journal of physical chemistry, 97(40), 1993, pp. 10269-10280
Citation: Wd. Cornell et al., APPLICATION OF RESP CHARGES TO CALCULATE CONFORMATIONAL ENERGIES, HYDROGEN-BOND ENERGIES, AND FREE-ENERGIES OF SOLVATION, Journal of the American Chemical Society, 115(21), 1993, pp. 9620-9631
Citation: P. Cieplak et al., HYDRATION OF BENZOIC-ACID IN BENZENE SOLUTION .3. INTERACTION ENERGY CALCULATIONS, Zeitschrift für physikalische Chemie, 177, 1992, pp. 63-74