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jmccammon's Korkut:A [2 articles] Export Sort

Recent papers posted to jmccammon's library by the author Korkut:A. You can also see everyone's Korkut:A.

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Computation of conformational transitions in proteins by virtual atom molecular mechanics as validated in application to adenylate kinase.

Proceedings of the National Academy of Sciences of the United States of America, Vol. 106, No. 37. (15 September 2009), pp. 15673-15678.

by Anil Korkut, Wayne A. Hendrickson

posted to protein_dynamics molecular_mechanics_calculations functional_modes conformational_transitions coarse_grain adenylate_kinase by jmccammon on 2009-10-17 20:42:54 as

along with 2 people and 1 group apaydin anuragsethi McCammon

A force field for virtual atom molecular mechanics of proteins

Proceedings of the National Academy of Sciences, Vol. 106, No. 37. (15 September 2009), pp. 15667-15672.

by Anil Korkut, Wayne A. Hendrickson

posted to protein_dynamics molecular_mechanics_calculations functional_modes conformational_transitions coarse_grain by jmccammon on 2009-10-17 20:40:56 as

along with 1 person and 2 groups barry structural_bioinformatics McCammon

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md_simulation	85
protein-ligand	50
binding	48
drug-discovery	43
free_energy	35
electrostatics	32
coarse_grain	24
protein-protein	18
solvation	16
molecular_dynamics_simulations	16
brownian_dynamics	15
protein_dynamics	13
conformational_transitions	13
diffusion	13
proteins	9
functional_modes	8
allostery	8
simulation_methodology	7
kinetics	7
ion_channel	7
replica_exchange	6
membrane	5
accelerated_md	5
peptides	5
langevin_dynamics	5
titration	5
qm-mm	4
nucleic_acids	4
monte_carlo	4
molecular_mechanics_calculations	3
umbrella	3
clustering	3
string_method	2
achr	2
time_correlation_function	1
entropy	1
tyrosine_kinase	1
c_src	1
electrolyte	1
quasiharmonic	1
milestones	1
adenylate_kinase	1
normal_modes	1
ions	1
water_molecules	1

jmccammon's Korkut:A [2 articles] Export Sort

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