Citation: Ia. Topol et al., PROTONATION OF GLYCINE AND ALANINE - PROTON AFFINITIES, INTRINSIC BASICITIES AND PROTON-TRANSFER PATH, Journal of molecular structure. Theochem, 430, 1998, pp. 41-49
Authors:
TOPOL IA
CASASFINET JR
GUSSIO R
BURT SK
ERICKSON JW
Citation: Ia. Topol et al., A QUANTUM-MECHANICAL STUDY OF METAL-BINDING SITES IN ZINC-FINGER STRUCTURES, Journal of molecular structure. Theochem, 423(1-2), 1998, pp. 13-28
Authors:
MARTIN SF
DORSEY GO
GANE T
HILLIER MC
KESSLER H
BAUR M
MATHA B
ERICKSON JW
BHAT TN
MUNSHI S
GULNIK SV
TOPOL IA
Citation: Sf. Martin et al., CYCLOPROPANE-DERIVED PEPTIDOMIMETICS - DESIGN, SYNTHESIS, EVALUATION,AND STRUCTURE OF NOVEL HIV-1 PROTEASE INHIBITORS, Journal of medicinal chemistry, 41(10), 1998, pp. 1581-1597
Authors:
TAWA GJ
TOPOL IA
BURT SK
CALDWELL RA
RASHIN AA
Citation: Gj. Tawa et al., CALCULATION OF THE AQUEOUS SOLVATION FREE-ENERGY OF THE PROTON, The Journal of chemical physics, 109(12), 1998, pp. 4852-4863
Citation: Gj. Tawa et al., CALCULATION OF RELATIVE BINDING FREE-ENERGIES OF PEPTIDIC INHIBITORS TO HIV-1 PROTEASE AND ITS I84V MUTANT, Journal of the American Chemical Society, 120(34), 1998, pp. 8856-8863
Authors:
BENTAL N
SITKOFF D
TOPOL IA
YANG AS
BURT SK
HONIG B
Citation: N. Bental et al., FREE-ENERGY OF AMIDE HYDROGEN-BOND FORMATION IN VACUUM, IN WATER, ANDIN LIQUID ALKANE SOLUTION, JOURNAL OF PHYSICAL CHEMISTRY B, 101(3), 1997, pp. 450-457
Citation: Ia. Topol et al., CALCULATION OF ABSOLUTE AND RELATIVE ACIDITIES OF SUBSTITUTED IMIDAZOLES IN AQUEOUS SOLVENT, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(51), 1997, pp. 10075-10081
Authors:
SOLOVEV VN
SERGEEV GB
NEMUKHIN AV
BURT SK
TOPOL IA
Citation: Vn. Solovev et al., IR MATRIX-ISOLATION AND AB-INITIO IDENTIFICATION OF PRODUCTS OF THE REACTIONS OF CH3CL AND CH3BR WITH MG, The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 101(46), 1997, pp. 8625-8630
Citation: L. Young et al., BUILDING MOLECULAR CHARGE-DISTRIBUTIONS FROM FRAGMENTS - APPLICATION TO HIV-1 PROTEASE INHIBITORS, Journal of computational chemistry, 18(4), 1997, pp. 522-532
Authors:
SHAITAN KV
NEMUKHIN AV
FIRSOV DA
BOGDAN TV
TOPOL IA
Citation: Kv. Shaitan et al., IMPORTANCE OF EFFECTIVE CHARGES IN THE ANALYSIS OF ELECTRON-CONFORMATIONAL INTERACTIONS IN PEPTIDES, Molecular biology, 31(1), 1997, pp. 90-97
Authors:
GUSSIO R
PATTABIRAMAN N
ZAHAREVITZ DW
KELLOGG GE
TOPOL IA
RICE WG
SCHAEFFER CA
ERICKSON JW
BURT SK
Citation: R. Gussio et al., ALL-ATOM MODELS FOR THE NONNUCLEOSIDE BINDING-SITE OF HIV-1 REVERSE-TRANSCRIPTASE COMPLEXED WITH INHIBITORS - A 3D QSAR APPROACH, Journal of medicinal chemistry, 39(8), 1996, pp. 1645-1650
Authors:
BALDWIN ET
BHAT TN
GULNIK S
LIU BS
TOPOL IA
KISO Y
MIMOTO T
MITSUYA H
ERICKSON JW
Citation: Et. Baldwin et al., STRUCTURE OF HIV-1 PROTEASE WITH KNI-272, A TIGHT-BINDING TRANSITION-STATE ANALOG CONTAINING ALLOPHENYLNORSTATINE, Structure, 3(6), 1995, pp. 581-590
Citation: T. Oie et al., AB-INITIO AND DENSITY-FUNCTIONAL STUDIES ON INTERNAL-ROTATION AND CORRESPONDING TRANSITION-STATES IN CONJUGATED MOLECULES, Journal of physical chemistry, 99(3), 1995, pp. 905-915
Citation: Ia. Topol et al., CAN CONTEMPORARY DENSITY-FUNCTIONAL THEORY YIELD ACCURATE THERMODYNAMICS FOR HYDROGEN-BONDING, Chemical physics letters, 247(1-2), 1995, pp. 112-119
Authors:
PRASAD JVNV
LUNNEY EA
FERGUSON D
TUMMINO PJ
RUBIN JR
REYNER EL
STEWART BH
GUTTENDORF RJ
DOMAGALA JM
SUVOROV LI
GULNIK SV
TOPOL IA
BHAT TN
ERICKSON JW
Citation: Jvnv. Prasad et al., HIV PROTEASE INHIBITORS POSSESSING A NOVEL, HIGH-AFFINITY, AND ACHIRAL P-1' P-2' LIGAND WITH A UNIQUE PATTERN OF IN-VITRO RESISTANCE - IMPORTANCE OF A CONFORMATIONALLY-RESTRICTED TEMPLATE IN THE DESIGN OF ENZYME-INHIBITORS/, Journal of the American Chemical Society, 117(45), 1995, pp. 11070-11074
Citation: Aa. Rashin et al., QUANTITATIVE-EVALUATION OF HYDRATION THERMODYNAMICS WITH A CONTINUUM MODEL, Biophysical chemistry, 51(2-3), 1994, pp. 359-374
Authors:
SCHMIEDEKAMP AM
TOPOL IA
BURT SK
RAZAFINJANAHARY H
CHERMETTE H
PFALTZGRAFF T
MICHEJDA CJ
Citation: Am. Schmiedekamp et al., TRIAZENE PROTON AFFINITIES - A COMPARISON BETWEEN DENSITY-FUNCTIONAL,HARTREE-FOCK, AND POST-HARTREE-FOCK METHODS, Journal of computational chemistry, 15(8), 1994, pp. 875-892
Authors:
TOPOL IA
CASASFINET JR
GUISSIO RP
SOWDER RC
HENDERSON LE
BURT SK
ERICKSON JW
Citation: Ia. Topol et al., CHARACTERIZATION OF GEOMETRICAL AND ELECTRONIC-STRUCTURE PARAMETERS FOR METAL-BINDING SITES IN ZINC-FINGER FAMILIES, Biophysical journal, 66(2), 1994, pp. 10000187-10000187