Development and benchmarking of an open, self-consistent force field for proteins and small molecules from the open force field initiative

被引：0

作者：

Cavender, Chapin E. ^{[1
]}

Behara, Pavan K. ^{[2
]}

Boothroyd, Simon ^{[3
,4
]}

Dotson, David L. ^{[3
,5
]}

Horton, Joshua T. ^{[6
]}

Mitchell, Joshua A. ^{[3
]}

Pulido, Ivan ^{[7
]}

Thompson, Matthew W. ^{[3
]}

Wagner, Jeffrey ^{[3
]}

Wang, Lily ^{[3
]}

Chodera, John D. ^{[7
]}

Cole, Daniel J. ^{[6
]}

Mobley, David L. ^{[2
]}

Shirts, Michael R. ^{[8
]}

Gilson, Michael K. ^{[1
]}

机构：

[1] Univ Calif San Diego, Skaggs Sch Pharm & Pharmaceut Sci, La Jolla, CA USA

[2] Univ Calif Irvine, Dept Pharmaceut Sci, Irvine, CA USA

[3] Open Mol Software Fdn, Open Force Field Consortium, Davis, CA USA

[4] Boothroyd Sci Consulting Ltd, London, England

[5] Datryll LLC, Phoenix, AZ USA

[6] Newcastle Univ, Sch Nat & Environm Sci, Newcastle Upon Tyne, Tyne & Wear, England

[7] Mem Sloan Kettering Canc Ctr, Computat & Syst Biol Program, New York, NY USA

[8] Univ Colorado, Chem & Biol Engn, Boulder, CO USA

来源：

BIOPHYSICAL JOURNAL | 2023年 / 122卷 / 03期

关键词：

D O I：

暂无

中图分类号：

Q6 [生物物理学];

学科分类号：

071011 ;

摘要：

2044-Pos

引用

页码：421A / 421A

页数：1

共 50 条

[21] The role of energy denominators in self-consistent field (SCF) calculations for open shell systems
Kollmar, C
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (18): : 8204 - 8212
[22] Self-consistent field theory of mixtures of flexible polymers and small liquid crystalline molecules
Wang, JF
Zhang, HD
Qiu, F
Yang, YL
ACTA CHIMICA SINICA, 2003, 61 (08) : 1180 - 1185
[23] FORCE BETWEEN SURFACES THAT CONFINE A POLYMER-SOLUTION - DERIVATION FROM SELF-CONSISTENT FIELD-THEORIES
EVANS, EA
MACROMOLECULES, 1989, 22 (05) : 2277 - 2286
[24] Potential of Mean Force between Bare or Grafted Silica/Polystyrene Surfaces from Self-Consistent Field Theory
Sgouros, Aristotelis P.
Revelas, Constantinos J.
Lakkas, Apostolos T.
Theodorou, Doros N.
POLYMERS, 2021, 13 (08)
[25] New Vibrational Self-Consistent Field Program for Large Molecules
Jelski, D. A.
Haley, R. H.
Bowman, J. M.
Journal of Computational Chemistry, 17 (14):
[26] High-K isomers in a self-consistent mean-field approach with the Gogny force
Robledo, L. M.
JOURNAL OF PHYSICS G-NUCLEAR AND PARTICLE PHYSICS, 2024, 51 (04)
[27] New vibrational self-consistent field program for large molecules
Jelski, DA
Haley, RH
Bowman, JM
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1996, 17 (14) : 1645 - 1652
[28] A SELF-CONSISTENT NONLINEAR FORCE-FREE SOLUTION FOR A SOLAR ACTIVE REGION MAGNETIC FIELD
Wheatland, M. S.
Reginer, S.
ASTROPHYSICAL JOURNAL LETTERS, 2009, 700 (02) : L88 - L91
[29] AN OPEN-ENDED SELF-CONSISTENT FIELD METHOD - A SIMULATION OF A MOLECULAR-ORBITAL TECHNIQUE FOR SMALL MEMORY COMPUTERS
BENZEL, MA
DYKSTRA, CE
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (02) : 260 - 264
[30] FORCE-FIELD AND SELF-CONSISTENT FIELD CALCULATIONS ON A TRANS COPLANAR DISULFIDE - BIS(2-PYRIMIDYL)DISULFIDE
BOYD, DB
LIPKOWITZ, KB
JOURNAL OF COMPUTATIONAL CHEMISTRY, 1981, 2 (03) : 324 - 333

← 1 2 3 4 5 →