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6 in total

1. ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures.

Authors: J H Van Drie; D Weininger; Y C Martin
Journal: J Comput Aided Mol Des Date: 1989-09 Impact factor: 3.686

2. Automated site-directed drug design: the prediction and observation of ligand point positions at hydrogen-bonding regions on protein surfaces.

Authors: D J Danziger; P M Dean
Journal: Proc R Soc Lond B Biol Sci Date: 1989-03-22

3. Automated site-directed drug design: the formation of molecular templates in primary structure generation.

Authors: R A Lewis; P M Dean
Journal: Proc R Soc Lond B Biol Sci Date: 1989-03-22

4. Automated site-directed drug design: the concept of spacer skeletons for primary structure generation.

Authors: R A Lewis; P M Dean
Journal: Proc R Soc Lond B Biol Sci Date: 1989-03-22

5. Using shape complementarity as an initial screen in designing ligands for a receptor binding site of known three-dimensional structure.

Authors: R L DesJarlais; R P Sheridan; G L Seibel; J S Dixon; I D Kuntz; R Venkataraghavan
Journal: J Med Chem Date: 1988-04 Impact factor: 7.446

6. New hydrogen-bond potentials for use in determining energetically favorable binding sites on molecules of known structure.

Authors: D N Boobbyer; P J Goodford; P M McWhinnie; R C Wade
Journal: J Med Chem Date: 1989-05 Impact factor: 7.446

6 in total

14 in total

1. Ligand atom partial charges assignment for complementary electrostatic potentials.

Authors: S L Chan; P L Chau; J M Goodman
Journal: J Comput Aided Mol Des Date: 1992-10 Impact factor: 3.686

2. Automated site-directed drug design: the generation of a basic set of fragments to be used for automated structure assembly.

Authors: P L Chau; P M Dean
Journal: J Comput Aided Mol Des Date: 1992-08 Impact factor: 3.686

3. In search of new lead compounds for trypanosomiasis drug design: a protein structure-based linked-fragment approach.

Authors: C L Verlinde; G Rudenko; W G Hol
Journal: J Comput Aided Mol Des Date: 1992-04 Impact factor: 3.686

4. The computer program LUDI: a new method for the de novo design of enzyme inhibitors.

Authors: H J Böhm
Journal: J Comput Aided Mol Des Date: 1992-02 Impact factor: 3.686

5. The concept of template-based de novo design from drug-derived molecular fragments and its application to TAR RNA.

Authors: Andreas Schüller; Marcel Suhartono; Uli Fechner; Yusuf Tanrikulu; Sven Breitung; Ute Scheffer; Michael W Göbel; Gisbert Schneider
Journal: J Comput Aided Mol Des Date: 2007-12-07 Impact factor: 3.686

6. LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads.

Authors: H J Böhm
Journal: J Comput Aided Mol Des Date: 1992-12 Impact factor: 3.686

7. Design of stapled DNA-minor-groove-binding molecules with a mutable atom simulated annealing method.

Authors: W L Walker; M L Kopka; R E Dickerson; D S Goodsell
Journal: J Comput Aided Mol Des Date: 1997-11 Impact factor: 3.686

8. Evaluation of a method for controlling molecular scaffold diversity in de novo ligand design.

Authors: N P Todorov; P M Dean
Journal: J Comput Aided Mol Des Date: 1997-03 Impact factor: 3.686

9. A Monte Carlo method for finding important ligand fragments from receptor data.

Authors: S Burt; C Hutchins; P J Zielinski
Journal: J Comput Aided Mol Des Date: 1997-05 Impact factor: 3.686

10. BUILDER v.2: improving the chemistry of a de novo design strategy.

Authors: D C Roe; I D Kuntz
Journal: J Comput Aided Mol Des Date: 1995-06 Impact factor: 3.686