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1.
Binding Mechanism between Platelet Glycoprotein and Cyclic Peptide Elucidated by McMD-Based Dynamic Docking.
J Chem Inf Model
; 64(10): 4158-4167, 2024 May 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-38751042
2.
Accurate Binding Configuration Prediction of a G-Protein-Coupled Receptor to Its Antagonist Using Multicanonical Molecular Dynamics-Based Dynamic Docking.
J Chem Inf Model
; 61(10): 5161-5171, 2021 10 25.
Artículo
en Inglés
| MEDLINE | ID: mdl-34549581
3.
Exhaustive search of the configurational space of heat-shock protein 90 with its inhibitor by multicanonical molecular dynamics based dynamic docking.
J Comput Chem
; 41(17): 1606-1615, 2020 06 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-32267975
4.
High-Precision Atomic Charge Prediction for Protein Systems Using Fragment Molecular Orbital Calculation and Machine Learning.
J Chem Inf Model
; 60(7): 3361-3368, 2020 07 27.
Artículo
en Inglés
| MEDLINE | ID: mdl-32496771
5.
Mutual induced-fit mechanism drives binding between intrinsically disordered Bim and cryptic binding site of Bcl-xL.
Commun Biol
; 6(1): 349, 2023 03 30.
Artículo
en Inglés
| MEDLINE | ID: mdl-36997643
6.
Engineering of Aeromonas caviae Polyhydroxyalkanoate Synthase Through Site-Directed Mutagenesis for Enhanced Polymerization of the 3-Hydroxyhexanoate Unit.
Front Bioeng Biotechnol
; 9: 627082, 2021.
Artículo
en Inglés
| MEDLINE | ID: mdl-33748082
7.
Dynamic Docking of a Medium-Sized Molecule to Its Receptor by Multicanonical MD Simulations.
J Phys Chem B
; 123(11): 2479-2490, 2019 03 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-30808168
8.
Axial dispositions and conformations of myosin crossbridges along thick filaments in relaxed and contracting states of vertebrate striated muscles by X-ray fiber diffraction.
J Mol Biol
; 367(1): 275-301, 2007 Mar 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-17239393
9.
Structural alterations of thin actin filaments in muscle contraction by synchrotron X-ray fiber diffraction.
Adv Exp Med Biol
; 592: 327-40, 2007.
Artículo
en Inglés
| MEDLINE | ID: mdl-17278377
10.
Modeling analysis of myosin-based meridional X-ray reflections from frog skeletal muscles in relaxed and contracting states.
Adv Exp Med Biol
; 538: 243-9, 2003.
Artículo
en Inglés
| MEDLINE | ID: mdl-15098672
11.
Head-head interactions of resting myosin crossbridges in intact frog skeletal muscles, revealed by synchrotron x-ray fiber diffraction.
PLoS One
; 7(12): e52421, 2012.
Artículo
en Inglés
| MEDLINE | ID: mdl-23285033
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