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Alexey Onufriev
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Citované v
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The Amber biomolecular simulation programs
DA Case, TE Cheatham, T Darden, H Gohlke, R Luo, KM Merz, A Onufriev, ...
Journal of computational chemistry 26 (16), 1668-1688, 2005
96482005
Amber 2021
DA Case, HM Aktulga, K Belfon, I Ben-Shalom, SR Brozell, DS Cerutti, ...
University of California, San Francisco, 2021
52242021
Exploring protein native states and large‐scale conformational changes with a modified generalized born model
A Onufriev, D Bashford, DA Case
Proteins: Structure, Function, and Bioinformatics 55 (2), 383-394, 2004
26012004
H++: a server for estimating p Ka s and adding missing hydrogens to macromolecules
JC Gordon, JB Myers, T Folta, V Shoja, LS Heath, A Onufriev
Nucleic acids research 33 (suppl_2), W368-W371, 2005
15872005
H++ 3.0: automating pK prediction and the preparation of biomolecular structures for atomistic molecular modeling and simulations
R Anandakrishnan, B Aguilar, AV Onufriev
Nucleic Acids Research 40 (W1), W537-W541, 2012
15532012
Modification of the generalized Born model suitable for macromolecules
A Onufriev, D Bashford, A David
The Journal of Physical Chemistry B 104 (15), 3712-3720, 2000
12152000
Building water models: a different approach
S Izadi, R Anandakrishnan, AV Onufriev
The journal of physical chemistry letters 5 (21), 3863-3871, 2014
7952014
Performance comparison of generalized Born and Poisson methods in the calculation of electrostatic solvation energies for protein structures
M Feig, A Onufriev, MS Lee, W Im, DA Case, CL Brooks
Journal of computational chemistry 25 (2), 265-284, 2003
7222003
Effective Born radii in the generalized Born approximation: the importance of being perfect
A Onufriev, DA Case, D Bashford
Journal of computational chemistry 23 (14), 1297-1304, 2002
5582002
Generalized Born model with a simple, robust molecular volume correction
J Mongan, C Simmerling, JA McCammon, DA Case, A Onufriev
Journal of chemical theory and computation 3 (1), 156-169, 2007
4342007
A simple clustering algorithm can be accurate enough for use in calculations of pKs in macromolecules
J Myers, G Grothaus, S Narayanan, A Onufriev
Proteins: Structure, Function, and Bioinformatics 63 (4), 928-938, 2006
3442006
Accuracy limit of rigid 3-point water models
S Izadi, AV Onufriev
The Journal of chemical physics 145 (7), 2016
2522016
A novel view of pH titration in biomolecules
A Onufriev, A David, GM Ullmann
Biochemistry 40 (12), 3413-3419, 2001
2422001
AMBER 2018, University of California, San Francisco, 2018
DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ...
Google Scholar There is no corresponding record for this reference, 2015
2402015
Speed of conformational change: comparing explicit and implicit solvent molecular dynamics simulations
R Anandakrishnan, A Drozdetski, RC Walker, AV Onufriev
Biophysical journal 108 (5), 1153-1164, 2015
2092015
Generalized Born implicit solvent models for biomolecules
AV Onufriev, DA Case
Annual review of biophysics 48, 275-296, 2019
2032019
Protonation and pK changes in protein–ligand binding
AV Onufriev, E Alexov
Quarterly reviews of biophysics 46 (2), 181-209, 2013
1802013
Water models for biomolecular simulations
AV Onufriev, S Izadi
Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (2), e1347, 2018
1792018
Atomic level computational identification of ligand migration pathways between solvent and binding site in myoglobin
JZ Ruscio, D Kumar, M Shukla, MG Prisant, TM Murali, AV Onufriev
Proceedings of the National Academy of Sciences 105 (27), 9204-9209, 2008
1562008
Analytical electrostatics for biomolecules: Beyond the generalized Born approximation
G Sigalov, A Fenley, A Onufriev
The Journal of chemical physics 124 (12), 2006
1552006
Systém momentálne nemôže vykonať operáciu. Skúste to neskôr.
Články 1–20