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Results: 1-25/98
PROGRESS IN FORCE-FIELD CALCULATIONS OF MOLECULAR INTERACTION FIELDS AND INTERMOLECULAR INTERACTIONS
Authors:
LILJEFORS T
Citation: T. Liljefors, PROGRESS IN FORCE-FIELD CALCULATIONS OF MOLECULAR INTERACTION FIELDS AND INTERMOLECULAR INTERACTIONS, Perspectives in drug discovery and design, 9-11, 1998, pp. 3-17
Authors:
KUBINYI H
FOLKERS G
MARTIN YC
Citation: H. Kubinyi et al., 3D QSAR IN DRUG DESIGN - LIGAND-PROTEIN INTERACTIONS AND MOLECULAR SIMILARITY - PREFACE, Perspectives in drug discovery and design, 9-11, 1998, pp. 5-7
Authors:
WADE RC
ORTIZ AR
GAGO F
Citation: Rc. Wade et al., COMPARATIVE BINDING-ENERGY ANALYSIS, Perspectives in drug discovery and design, 9-11, 1998, pp. 19-34
Authors:
OPREA TI
MARSHALL GR
Citation: Ti. Oprea et Gr. Marshall, RECEPTOR-BASED PREDICTION OF BINDING AFFINITIES, Perspectives in drug discovery and design, 9-11, 1998, pp. 35-61
Authors:
HOLLOWAY MK
Citation: Mk. Holloway, A-PRIORI PREDICTION OF LIGAND AFFINITY BY ENERGY MINIMIZATION, Perspectives in drug discovery and design, 9-11, 1998, pp. 63-84
Authors:
REDDY MR
VISWANADHAN VN
ERION MD
Citation: Mr. Reddy et al., RAPID ESTIMATION OF RELATIVE BINDING AFFINITIES OF ENZYME-INHIBITORS, Perspectives in drug discovery and design, 9-11, 1998, pp. 85-98
Authors:
KNEGTEL RMA
GROOTENHUIS PDJ
Citation: Rma. Knegtel et Pdj. Grootenhuis, BINDING AFFINITIES AND NONBONDED INTERACTION ENERGIES, Perspectives in drug discovery and design, 9-11, 1998, pp. 99-114
Authors:
WEBER IT
HARRISON RW
Citation: It. Weber et Rw. Harrison, MOLECULAR MECHANICS CALCULATIONS ON PROTEIN-LIGAND COMPLEXES, Perspectives in drug discovery and design, 9-11, 1998, pp. 115-127
Authors:
BECK B
CLARK T
Citation: B. Beck et T. Clark, SOME BIOLOGICAL APPLICATIONS OF SEMIEMPIRICAL MO THEORY, Perspectives in drug discovery and design, 9-11, 1998, pp. 131-159
Authors:
ANDREONI W
Citation: W. Andreoni, DENSITY-FUNCTIONAL THEORY AND MOLECULAR-DYNAMICS - A NEW PERSPECTIVE FOR SIMULATIONS OF BIOLOGICAL-SYSTEMS, Perspectives in drug discovery and design, 9-11, 1998, pp. 161-167
Authors:
CARLONI P
ALBER F
Citation: P. Carloni et F. Alber, DENSITY-FUNCTIONAL THEORY INVESTIGATIONS OF ENZYME-SUBSTRATE INTERACTIONS, Perspectives in drug discovery and design, 9-11, 1998, pp. 169-179
Authors:
ROGNAN D
Citation: D. Rognan, MOLECULAR-DYNAMICS SIMULATIONS - A TOOL FOR DRUG DESIGN, Perspectives in drug discovery and design, 9-11, 1998, pp. 181-209
Authors:
CLARK RD
FERGUSON AM
CRAMER RD
Citation: Rd. Clark et al., BIOISOSTERISM AND MOLECULAR DIVERSITY, Perspectives in drug discovery and design, 9-11, 1998, pp. 213-224
Authors:
KUBINYI H
Citation: H. Kubinyi, SIMILARITY AND DISSIMILARITY - A MEDICINAL CHEMISTS VIEW, Perspectives in drug discovery and design, 9-11, 1998, pp. 225-252
Authors:
GHOSE AK
WENDOLOSKI JJ
Citation: Ak. Ghose et Jj. Wendoloski, PHARMACOPHORE MODELING - METHODS, EXPERIMENTAL-VERIFICATION AND APPLICATIONS, Perspectives in drug discovery and design, 9-11, 1998, pp. 253-271
Authors:
ANZALI S
GASTEIGER J
HOLZGRABE U
POLANSKI J
SADOWSKI J
TECKENTRUP A
WAGENER M
Citation: S. Anzali et al., THE USE OF SELF-ORGANIZING NEURAL NETWORKS IN DRUG DESIGN, Perspectives in drug discovery and design, 9-11, 1998, pp. 273-299
Authors:
THORNER DA
WILD DJ
WILLETT P
WRIGHT PM
Citation: Da. Thorner et al., CALCULATION OF STRUCTURAL SIMILARITY BY THE ALIGNMENT OF MOLECULAR ELECTROSTATIC POTENTIALS, Perspectives in drug discovery and design, 9-11, 1998, pp. 301-320
Authors:
GOOD AC
RICHARDS WG
Citation: Ac. Good et Wg. Richards, EXPLICIT CALCULATION OF 3D MOLECULAR SIMILARITY, Perspectives in drug discovery and design, 9-11, 1998, pp. 321-338
Authors:
PEARLMAN RS
SMITH KM
Citation: Rs. Pearlman et Km. Smith, NOVEL SOFTWARE TOOLS FOR CHEMICAL DIVERSITY, Perspectives in drug discovery and design, 9-11, 1998, pp. 339-353
Authors:
TODESCHINI R
GRAMATICA P
Citation: R. Todeschini et P. Gramatica, NEW 3D MOLECULAR DESCRIPTORS - THE WHIM THEORY AND QSAR APPLICATIONS, Perspectives in drug discovery and design, 9-11, 1998, pp. 355-380
Authors:
HERITAGE TW
FERGUSON AM
TURNER DB
WILLETT P
Citation: Tw. Heritage et al., EVA - A NOVEL THEORETICAL DESCRIPTOR FOR QSAR STUDIES, Perspectives in drug discovery and design, 9-11, 1998, pp. 381-398
Authors:
MARTIN YC
Citation: Yc. Martin, 3D QSAR - CURRENT STATE, SCOPE, AND LIMITATIONS, Perspectives in drug discovery and design, 12, 1998, pp. 3-23
Authors:
KUBINYI H
FOLKERS G
MARTIN YC
Citation: H. Kubinyi et al., 3D QSAR IN DRUG DESIGN - RECENT ADVANCES - PREFACE, Perspectives in drug discovery and design, 12, 1998, pp. 5-7
Authors:
NORINDER U
Citation: U. Norinder, RECENT PROGRESS IN COMFA METHODOLOGY AND RELATED TECHNIQUES, Perspectives in drug discovery and design, 12, 1998, pp. 25-39
Authors:
KROEMER RT
HECHT P
GUESSREGEN S
LIEDL KR
Citation: Rt. Kroemer et al., IMPROVING THE PREDICTIVE QUALITY OF COMFA MODELS, Perspectives in drug discovery and design, 12, 1998, pp. 41-56