Darrin M. York

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lee pedersenemeritus professor of chemistry, university of north carolina at chapel hillPreverjeni e-poštni naslov na ad.unc.edu
Michael E HarrisProfessor of Chemistry, University of FloridaPreverjeni e-poštni naslov na chem.ufl.edu
Xabier LopezUPV/EHUPreverjeni e-poštni naslov na ehu.eus
Joseph PiccirilliPreverjeni e-poštni naslov na uchicago.edu
Weitao YangPhilip Handler Professor, Department of Chemistry, Duke UniversityPreverjeni e-poštni naslov na duke.edu
Jiali GaoShenzhen Bay Laboratory and University of MinnesotaPreverjeni e-poštni naslov na jialigao.org
Kwangho NamPreverjeni e-poštni naslov na uta.edu
David A CaseRutgers UniversityPreverjeni e-poštni naslov na biomaps.rutgers.edu
Abir GangulyDirector & Head of Free Energy, TandemAIPreverjeni e-poštni naslov na tandemai.com
William G. ScottProfessor of Chemistry and Biochemistry, University of CaliforniaPreverjeni e-poštni naslov na ucsc.edu
Qiang CuiBoston University (previously University of Wisconsin, Madison)Preverjeni e-poštni naslov na bu.edu
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State UniversityPreverjeni e-poštni naslov na msu.edu
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.Preverjeni e-poštni naslov na ufl.edu
Woody ShermanPsivant TherapeuticsPreverjeni e-poštni naslov na psivant.com
Philip BevilacquaProfessor of Chemistry, The Pennsylvania State UniversityPreverjeni e-poštni naslov na psu.edu
Zoe CourniaDirector or Research, Biomedical Research Foundation, Academy of AthensPreverjeni e-poštni naslov na bioacademy.gr
Benoit RouxProfessor of Biochemistry, The university of ChicagoPreverjeni e-poštni naslov na uchicago.edu
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignPreverjeni e-poštni naslov na Univ-Lorraine.fr
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of UtahPreverjeni e-poštni naslov na utah.edu
Linfeng ZhangDP Technology; AI for Science InstitutePreverjeni e-poštni naslov na dp.tech

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Darrin M. York

Henry Rutgers University Professor, Rutgers University

Preverjeni e-poštni naslov na rutgers.edu - Domača stran

Drug Discovery RNA Structure and Function Multiscale Modeling Deep Learning Potentials


Naslov Razvrsti po navedbah Razvrsti po letniku Razvrsti po naslovu	Navedeno Navedeno	Leto
Particle mesh Ewald: An N log (N) method for Ewald sums in large systems T Darden, D York, L Pedersen Journal of chemical physics 98, 10089-10089, 1993	31577	1993
CHARMM: the biomolecular simulation program BR Brooks, CL Brooks III, AD Mackerell Jr, L Nilsson, RJ Petrella, B Roux, ... Journal of computational chemistry 30 (10), 1545-1614, 2009	9401	2009
Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023	5939	2023
The effect of long‐range electrostatic interactions in simulations of macromolecular crystals: A comparison of the Ewald and truncated list methods DM York, TA Darden, LG Pedersen The Journal of chemical physics 99 (10), 8345-8348, 1993	1008	1993
AmberTools DA Case, HM Aktulga, K Belfon, DS Cerutti, GA Cisneros, VWD Cruzeiro, ... Journal of chemical information and modeling 63 (20), 6183-6191, 2023	656	2023
A Long-Range Electrostatic Potential Based on the Wolf Method Charge-Neutral Condition TA Darden, D York, LG Pedersen Chemical Physics 98 (12), 10089-10092, 1993	565	1993
A smooth solvation potential based on the conductor-like screening model DM York, M Karplus The Journal of Physical Chemistry A 103 (50), 11060-11079, 1999	529	1999
GPU-accelerated molecular dynamics and free energy methods in Amber18: performance enhancements and new features TS Lee, DS Cerutti, D Mermelstein, C Lin, S LeGrand, TJ Giese, ... Journal of chemical information and modeling 58 (10), 2043-2050, 2018	408	2018
AMBER 20 DA Case, K Belfon, IY Ben-Shalom, SR Brozell, DS Cerutti, ... University of California: San Francisco, CA, USA, 2020	372	2020
An efficient linear-scaling Ewald method for long-range electrostatic interactions in combined QM/MM calculations K Nam, J Gao, DM York Journal of Chemical Theory and Computation 1 (1), 2-13, 2005	347	2005
Extension of the self-consistent-charge density-functional tight-binding method: third-order expansion of the density functional theory total energy and introduction of a … Y Yang, H Yu, D York, Q Cui, M Elstner The Journal of Physical Chemistry A 111 (42), 10861-10873, 2007	333	2007
Constant pH replica exchange molecular dynamics in explicit solvent using discrete protonation states: implementation, testing, and validation JM Swails, DM York, AE Roitberg Journal of chemical theory and computation 10 (3), 1341-1352, 2014	290	2014
Alchemical binding free energy calculations in AMBER20: Advances and best practices for drug discovery TS Lee, BK Allen, TJ Giese, Z Guo, P Li, C Lin, TD McGee Jr, ... Journal of Chemical Information and Modeling 60 (11), 5595-5623, 2020	287	2020
A chemical potential equalization method for molecular simulations DM York, W Yang The Journal of chemical physics 104 (1), 159-172, 1996	285	1996
AMBER 2018. University of California, San Francisco (2018) DA Case, JT Berryman, RM Betz, DS Cerutti, TE Cheatham III, TA Darden, ... There is no corresponding record for this reference, 2015	263	2015
DeePMD-kit v2: A software package for deep potential models J Zeng, D Zhang, D Lu, P Mo, Z Li, Y Chen, M Rynik, L Huang, Z Li, S Shi, ... The Journal of Chemical Physics 159 (5), 2023	244	2023
Atomic-level accuracy in simulations of large protein crystals. DM York, A Wlodawer, LG Pedersen, TA Darden Proceedings of the National Academy of Sciences 91 (18), 8715-8718, 1994	240	1994
Linear‐scaling semiempirical quantum calculations for macromolecules TS Lee, DM York, W Yang The Journal of Chemical Physics 105 (7), 2744-2750, 1996	221	1996
Toward the accurate modeling of DNA: the importance of long-range electrostatics DM York, W Yang, H Lee, T Darden, LG Pedersen Journal of the American Chemical Society 117 (17), 5001-5002, 1995	219	1995
Using AMBER18 for relative free energy calculations LF Song, TS Lee, C Zhu, DM York, KM Merz Jr Journal of chemical information and modeling 59 (7), 3128-3135, 2019	204	2019

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