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- ADP
- ALU
- ASCII
- ATP
- Ab initio
- Acceptor
- Accessibility
- Accession code
- Accession number
- Accuracy
- Acidic
- Activation energy
- Active site
- Active state
- Adenine
- Adenosine
- Aggregation
- Agonist
- Ala
- Alanine
- Alcoholic
- Algorithm
- Alignment
- Aliphatic
- All:RMS
- Allele
- Alternate splice
- Amide
- Amino acid
- Amino group
- Amphipathic
- Amyloid
- Amyloidosis
- Anchor
- Angstrom
- Annotation
- Antagonist
- Anti-parallel
- Antibody
- Antigen
- Arg
- Arginine
- Aromaticity
- Asn
- Asp
- Asparagine
- Aspartate
- Aspartic acid
- Asymmetric unit
- Atom
- B-factor
- BDB
- BLAT
- BPTI
- Backbone
- Bacteria
- Bacterium
- Base
- Basepair
- Basic
- Beta-turn
- Beta branch
- Bifurcated hydrogen bond
- BioRange
- Bioinformatics
- Black box
- Blast
- Blood brain barrier
- Boltzmann
- Bond angle
- Bond length
- Bump
- Buried
- C-alpha
- C-alpha trace
- C-cap
- C-terminus
- CASP
- CATH
- CDS
- CMBI
- CMS
- CPU
- CSD
- Calcium
- Capping
- Carbohydrate
- Carbonyl
- Carboxyl group
- Catalysis
- Cavity
- Cell
- Chain
- Channel
- Chaperone
- Charge
- Chemical bond
- Chemical element
- Chi-angle
- Chirality