Darrin M. York

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Finansman sağlayan kuruluşun getirdiği zorunluluğa dayalı olarak

Katkıda bulunan yazarlar

lee pedersenemeritus professor of chemistry, university of north carolina at chapel hillad.unc.edu üzerinde doğrulanmış e-posta adresine sahip
Michael E HarrisProfessor of Chemistry, University of Floridachem.ufl.edu üzerinde doğrulanmış e-posta adresine sahip
Xabier LopezUPV/EHUehu.eus üzerinde doğrulanmış e-posta adresine sahip
Joseph Piccirilliuchicago.edu üzerinde doğrulanmış e-posta adresine sahip
Weitao YangPhilip Handler Professor, Department of Chemistry, Duke Universityduke.edu üzerinde doğrulanmış e-posta adresine sahip
David A CaseRutgers Universitybiomaps.rutgers.edu üzerinde doğrulanmış e-posta adresine sahip
Jiali GaoShenzhen Bay Laboratory and University of Minnesotajialigao.org üzerinde doğrulanmış e-posta adresine sahip
Kwangho Namuta.edu üzerinde doğrulanmış e-posta adresine sahip
Abir GangulyDirector & Head of Free Energy, TandemAItandemai.com üzerinde doğrulanmış e-posta adresine sahip
William G. ScottProfessor of Chemistry and Biochemistry, University of Californiaucsc.edu üzerinde doğrulanmış e-posta adresine sahip
Qiang CuiBoston University (previously University of Wisconsin, Madison)bu.edu üzerinde doğrulanmış e-posta adresine sahip
Kenneth M. Merz Jr.Staff, Lerner Research Institute; Professor, Michigan State Universitymsu.edu üzerinde doğrulanmış e-posta adresine sahip
Adrian RoitbergFrank Harris Professor. Department of Chemistry. University of Florida.ufl.edu üzerinde doğrulanmış e-posta adresine sahip
Woody ShermanPsivant Therapeuticspsivant.com üzerinde doğrulanmış e-posta adresine sahip
Thomas E. Cheatham, IIIProfessor of Medicinal Chemistry; Director Research Computing; University of Utahutah.edu üzerinde doğrulanmış e-posta adresine sahip
Philip BevilacquaProfessor of Chemistry, The Pennsylvania State Universitypsu.edu üzerinde doğrulanmış e-posta adresine sahip
Zoe CourniaDirector or Research, Biomedical Research Foundation, Academy of Athensbioacademy.gr üzerinde doğrulanmış e-posta adresine sahip
Benoit RouxProfessor of Biochemistry, The university of Chicagouchicago.edu üzerinde doğrulanmış e-posta adresine sahip
Chris ChipotUniversity of Lorraine — University of Illinois, Urbana-ChampaignUniv-Lorraine.fr üzerinde doğrulanmış e-posta adresine sahip
Linfeng ZhangDP Technology; AI for Science Institutedp.tech üzerinde doğrulanmış e-posta adresine sahip

Takip et

Darrin M. York

Henry Rutgers University Professor, Rutgers University

rutgers.edu üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Drug Discovery RNA Structure and Function Multiscale Modeling Deep Learning Potentials


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems T Darden, D York, L Pedersen The Journal of chemical physics 98 (12), 10089-10092, 1993	31656	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	9306	2009
Amber 2023 DA Case, HM Aktulga, K Belfon, IY Ben-Shalom, JT Berryman, SR Brozell, ... University of California, San Francisco, 2023	5845	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	997	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	596	2023
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	524	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	396	2018
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	341	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	329	2007
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	285	2020
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	285	2014
A chemical potential equalization method for molecular simulations DM York, W Yang The Journal of chemical physics 104 (1), 159-172, 1996	281	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	256	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	238	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	238	1994
Linear‐scaling semiempirical quantum calculations for macromolecules TS Lee, DM York, W Yang The Journal of Chemical Physics 105 (7), 2744-2750, 1996	222	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	222	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	195	2019
Specific reaction parametrization of the AM1/d Hamiltonian for phosphoryl transfer reactions: H, O, and P atoms K Nam, Q Cui, J Gao, DM York Journal of Chemical Theory and Computation 3 (2), 486-504, 2007	178	2007
Accurate proton affinity and gas-phase basicity values for molecules important in biocatalysis A Moser, K Range, DM York The Journal of Physical Chemistry B 114 (43), 13911-13921, 2010	175	2010

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