|
|
|
题名
|
作者
|
年代
|
出处
|
被引量
|
| 1 | The ReaxFF reactive force-field: development, applications and future directions显示文摘The reactive force-field(ReaxFF)interatomic potential is a powerful computational tool for exploring,developing and optimizing material properties.Methods based on the principles of quantum mechanics(QM),while offering valuable theoretical guidance at the electronic level,are often too computationally intense for simulations that consider the full dynamic evolution of a system.Alternatively,empirical interatomic potentials that are based on classical principles require significantly fewer computational resources,which enables simulations to better describe dynamic processes over longer timeframes and on larger scales.Such methods,however,typically require a predefined connectivity between atoms,precluding simulations that involve reactive events.The ReaxFF method was developed to help bridge this gap.Approaching the gap from the classical side,ReaxFF casts the empirical interatomic potential within a bond-order formalism,thus implicitly describing chemical bonding without expensive QM calculations.This article provides an overview of the development,application,and future directions of the ReaxFF method. | Thomas P Senftle Sungwook Hong Md Mahbubul Islam Sudhir B Kylasa Yuanxia Zheng Yun Kyung Shin Chad Junkermeier Roman Engel-Herbert Michael J Janik Hasan Metin Aktulga Toon Verstraelen Ananth Grama Adri CT van Duin | 2016 | npj Computational Materials2016，，1： | 22 |
| 2 | An epigenomic approach to therapy for tamoxifen-resistant breast cancer显示文摘Tamoxifen 是为雌激素受体 alpha 的前线治疗(ERα) 在绝经前的女人的积极的胸肿瘤。然而,到 tamoxifen 的抵抗发生在许多病人。嗯仍然与获得的 tamoxifen 抵抗在乳癌房间的生长起一个关键作用,建议那 ERα为治疗仍然是一个有效目标 tamoxifen 抵抗(Tam-R ) 乳癌。以识别 ERα 的新奇管理者;发信号,通过对 histone 甲基修饰词的一幅小规模的 siRNA 屏幕,我们发现了 WHSC1, histone H3K36 methyltransferase, ERα 的一个积极管理者;在乳癌房间发信号。我们证明 WHSC1 被招募到 ERα由 BET 蛋白质 BRD3/4 的基因,并且便于 ERα基因表示。小分子的赌注蛋白质禁止者 JQ1 potently 压制了经典 ERα发信号的小径和在文化的 Tam-R 乳癌房间的生长。用一个 Tam-R 乳癌异种皮移植老鼠模型,我们与 JQ1 和 ER degrader fulvestrant 由 JQ1 和联合治疗的强壮的长持续的效果在 vivo 反胸癌症活动示威了。一起拿,我们提供 epigenomic 蛋白质 BRD3/4 和 WHSC1 是雌激素受体发信号的必要管理者并且是为 Tam-R 乳癌的治疗的新奇治疗学的目标的证据。 | Qin Feng Zheng Zhang Martin J Shea Chad J Creighton Cristian Coarfa Susan G Hilsenbeck Rainer Lanz Bin He Lei Wang Xiaoyong Fu Agostina Nardone Yongcheng Song James Bradner Nicholas Mitsiades Constantine S Mitsiades C Kent Osborne Rachel Schiff Bert W O'Malley | 2014 | Cell Research2014，24，7： | 10 |
| 3 | Prognostically relevant gene signatures of high-grade serous ovarian carcinoma显示文摘 | Verhaak Roel G W Tamayo Pablo Yang Ji-Yeon Hubbard Diana Zhang Hailei Creighton Chad J Fereday Sian Lawrence Michael Carter Scott L Mermel Craig H Kostic Aleksandar D Etemadmoghadam Dariush Saksena Gordon Cibulskis Kristian Duraisamy Sekhar | 2013 | Journal of Clinical Investigation2013，，1： | 2 |
| 4 | Natural history of intraductal papillary mucinous neoplasia:How much do we really know?显示文摘Information on the natural history of intraductal papillary mucinous neoplasia(IPMN) is currently inadequate due to a lack of carefully orchestrated long-term followup on a large cohort of patients with asymptomatic disease.Based on the available data,one can draw the conclusions that main duct IPMN is commonly associated with malignancy and an aggressive operative stance should be taken with resection being offered to most patients who are suitable operative candidates.In contrast,the majority of branch type IPMN with a diameter of less than 3 cm can be safely followed with routine surveillance imaging provided they lack the high-risk covariates of age,symptomatology,nodularity or wall thickness. | Chad G Ball Thomas J Howard | 2010 | World Journal of Gastrointestinal Surgery2010，2，10： | 2 |
| 5 | Clinical features of sarcomatoid carcinoma(carcinosarcoma) of the urinary bladder:Analysis of 221 cases显示文摘 | Wang J Wang FW Chad A | 2010 | Sarcoma2010，7，： | 1 |
| 6 | Design and fabrication of high temperature superconducting field coils for a demonstration DC motor显示文摘 | CHAD H J RICH F S | 1993 | IEEE Trans on Applied Superconductivity1993，，： | 1 |
| 7 | First Flush Concepts for Suspended and Dissolved Solids in Small Impervious Water-sheds显示文摘 | John J Sansalone Chad M Cristina | 2004 | Journal of Environmental Engineering2004，130，11： | 1 |
| 8 | Power requirements for pulp suspensions fluidization 显示文摘 | Chad P J B Richard J K | 1996 | Tappi1996，79，： | 1 |
| 9 | Stratigraphic controls on vertical fracture patterns in Silarian dolomite,northeastern Wisconsin显示文摘 | Chad A Underwood M L Cooke J A | 2003 | AAPG Bulletin2003，87，1： | 1 |
| 10 | Strategies for the construction of supramolecular compounds through coordination chemistry显示文摘 | Chad A M | 2000 | Angew Chem Int Ed2000，40，： | 1 |
| 11 | A preliminary test of the interpersonal-psychological theory of suicidal behavior in a military sample 显示文摘 | Craig J Bryan Chad E Morrow Michael D Anestis | 2010 | Personality and Individual Differences2010，48，3： | 1 |
| 12 | First flush concepts for suspended and dissolved solids in small impervious watersheds显示文摘 | John J S Chad M C | 2004 | Journal of Environmental Engineering2004，130，： | 1 |
| 13 | Effects of six-week clarithromycin therapy in corticosteroid-dependent asthma :a randomized,double-blind,placebo-controlled pilot study 显示文摘 | GOTFRIED M H ROSE J CHAD R M | 2004 | Cuit Ther Res2004，65，2： | 1 |
| 14 | Laboratory studies to characterize the efficacy of sand capping a coal tar contaminated sediment显示文摘 | Seunghun H Chad T J Linda S l | 2006 | Chemosphere2006，63，10： | 1 |
| 15 | Bioleaching of cadmium and nickel from synthetic sediments by Acidithiobacillus ferrooxidans显示文摘 | KIM S D BAE J E PARK H S CHAD K | 2005 | Environmental Geochemistry and Health2005，27，3： | 1 |
| 16 | Colorectal cancer screening practices in Saskatchewan: survey of family physicians显示文摘 | Deobald R Graham P Chad J | 2013 | Can Faro Physician2013，59，12： | 1 |
| 17 | How We Die: The Impact of Nonneurologic Organ Dysfunction after Severe Traumatic Brain Injury显示文摘 | Kemp Clinton D Johnson J Chad Riordan William P Cotton Bryan A | 2008 | The American Surgeon2008，，9： | 1 |
| 18 | A comparative evaluation of hexavalent chromium treatment in contaminated soil by calcium polysulfide and green-tea nanoscale zero-valent iron显示文摘 | MARIA C CHAD P J GEETA D | 2012 | Journal of Hazardous Materials2012，02，： | 1 |
| 19 | Prophylactic antibiotics in clean forefoot surgery, are they necessary? 显示文摘 | CHAD D RICHARD G R WALTER J et aJ | 2002 | Chapter2002，19，4： | 1 |
| 20 | Sorfactant/Cosolvents显示文摘 | CHAD T J | 1996 | Ground-water Remediation Technologies Center Analysis1996，12，： | 1 |
您所在的机构暂未开通此部分的功能，请联系管理员