フォロー
Apurba Bhattarai
Apurba Bhattarai
Oddity Labs
確認したメール アドレス: oddity.com
タイトル
引用先
引用先
Gaussian accelerated molecular dynamics: Principles and applications
J Wang, PR Arantes, A Bhattarai, RV Hsu, S Pawnikar, YM Huang, ...
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1521, 2021
1902021
Ligand Gaussian accelerated molecular dynamics (LiGaMD): Characterization of ligand binding thermodynamics and kinetics
Y Miao, A Bhattarai, J Wang
Journal of chemical theory and computation 16 (9), 5526-5547, 2020
1462020
Positive allosteric mechanisms of adenosine A1 receptor-mediated analgesia
CJ Draper-Joyce, R Bhola, J Wang, A Bhattarai, ATN Nguyen, ...
Nature 597 (7877), 571-576, 2021
1282021
Structural Basis for Binding of Allosteric Drug Leads in the Adenosine A1 Receptor
Y Miao, A Bhattarai, ATN Nguyen, A Christopoulos, LT May
Scientific reports 8 (1), 16836, 2018
552018
Gaussian accelerated molecular dynamics for elucidation of drug pathways
A Bhattarai, Y Miao
Expert opinion on drug discovery 13 (11), 1055-1065, 2018
492018
Mechanisms of γ-secretase activation and substrate processing
A Bhattarai, S Devkota, S Bhattarai, MS Wolfe, Y Miao
ACS central science 6 (6), 969-983, 2020
432020
G‐protein‐coupled receptor–membrane interactions depend on the receptor activation state
A Bhattarai, J Wang, Y Miao
Journal of computational chemistry 41 (5), 460-471, 2020
382020
GLOW: A workflow integrating Gaussian-accelerated molecular dynamics and deep learning for free energy profiling
HN Do, J Wang, A Bhattarai, Y Miao
Journal of Chemical Theory and Computation 18 (3), 1423-1436, 2022
372022
Mechanism of tripeptide trimming of amyloid β-peptide 49 by γ-secretase
A Bhattarai, S Devkota, HN Do, J Wang, S Bhattarai, MS Wolfe, Y Miao
Journal of the American Chemical Society 144 (14), 6215-6226, 2022
312022
Retrospective ensemble docking of allosteric modulators in an adenosine G-protein-coupled receptor
A Bhattarai, J Wang, Y Miao
Biochimica et Biophysica Acta (BBA)-General Subjects 1864 (8), 129615, 2020
212020
Pharmacological hallmarks of allostery at the M4 muscarinic receptor elucidated through structure and dynamics
Z Vuckovic, J Wang, V Pham, JI Mobbs, MJ Belousoff, A Bhattarai, ...
Elife 12, e83477, 2023
182023
Mechanism of ligand recognition by human ACE2 receptor
A Bhattarai, S Pawnikar, Y Miao
The journal of physical chemistry letters 12 (20), 4814-4822, 2021
182021
Effects of presenilin-1 familial Alzheimer’s disease mutations on γ-secretase activation for cleavage of amyloid precursor protein
HN Do, S Devkota, A Bhattarai, MS Wolfe, Y Miao
Communications Biology 6 (1), 174, 2023
172023
Binding analysis using accelerated molecular dynamics simulations and future perspectives
S Pawnikar, A Bhattarai, J Wang, Y Miao
Advances and Applications in Bioinformatics and Chemistry, 1-19, 2022
152022
Molecular simulations and drug discovery of adenosine receptors
J Wang, A Bhattarai, HN Do, S Akhter, Y Miao
Molecules 27 (7), 2054, 2022
112022
Challenges and frontiers of computational modelling of biomolecular recognition
J Wang, A Bhattarai, HN Do, Y Miao
QRB discovery 3, e13, 2022
62022
Computer-aided GPCR drug discovery
J Wang, A Bhattarai, WI Ahmad, TS Farnan, KP John, Y Miao
GPCRs, 283-293, 2020
52020
Ligand Gaussian Accelerated Molecular Dynamics (LiGaMD) for Characterization of Ligand Binding Thermodynamics and Kinetics
Y Miao, A Bhattarai, J Wang
Biophysical Journal 120 (3), 97a, 2021
42021
Diversity of weeds and population dynamics of predators and prey present in wheat-mustard ecosystem at Paklihawa, Rupandehi, Nepal
S Khanal, S Adhikari, A Bhattarai, S Shrestha
Journal of the Institute of Agriculture and Animal Science 35 (1), 173-181, 2018
22018
Mechanism and pathways of inhibitor binding to the human ACE2 receptor for SARS-CoV1/2
A Bhattarai, S Pawnikar, Y Miao
Biophysical Journal 120 (3), 204a, 2021
12021
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