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Computer Aided Biological Design
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Computer Aided Biological Design
Estradiol
Raloxifen
Taxol
Octet rule
Hydrogen Atom Radial Functions
Chirality
Local Minimum
Gradient descent
Grignard Reaction
Molecular Mechanics
Molecular Dynamics
Quantum Mechanics
Quantum Chemistry
Schrödinger equation
Atomic orbital
Molecular orbital
Rotational–vibrational spectroscopy
QM/MM
Spectrum
CAS number
CAS search - chemnet
CAS search - molbase
CAS search - chemexper
CAS search - chemfinder
CAS_number_file
SMILES
PDB
Chimera as camera
Druggable Genome
GPCR
Journal of Medicinal Chemistry
JMC2012_1898
Adenosine A2a as Drug Target
Quantitative Structure-Activity Relationship
ChemDes
Statistical Methods for QSAR
Paper (I)
Paper (II)
Lipinski's rule of five
Virtual Screening
Drug Discovery
From Molecule to Medicine
PhRMA
Dihedral Angle
Symmetry
Molecular symmetry
Morphine
ACS
Agonist
Antagonist
PDB
Molecular Docking
Nature's News of Molecular Dockiing
Discovery Studio
Paper of Virtual Screening by Docking
RMSD
Noncovalent Interactions
Correlation
Bringing the Experiment to Cyberspace
And, more ...
Text Books:
Authors:
[1] Structure-Based Drug Design.
Penelope W. Codding
[2] Virtual Screening for Bioactive Molecules.
Hans-Joachim Bohm and Gisbert Schneider
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Philosophy
Ying-Ting Lin
, Ph. D., Associate Professor,
Department of Biotechnology
,
College of Life Sciences
,
Kaohsiung Medical University
Taiwan
YTLin@KMU