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A

A. T. Hagler

university of massachusetts system

51H指数
174论文数
1.4W被引数
收录论文 38
发表时间
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Diversity of Quaternary Structures Regulates Nuclear Receptor Activities
errTRENDS IN BIOCHEMICAL SCIENCES
IF11
err2019-01-01
err12
PREAI
errFuentes-Prior, Pablo; Rojas, Ana; Hagler, Arnold T.; Estebanez-Perpina, Eva
err分享
err收藏
Force field development phase II: Relaxation of physics-based criteria... or inclusion of more rigorous physics into the representation of molecular energetics
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2018-11-30
err53
PREAI
errHagler, A. T.
err分享
err收藏
Biomolecular force fields: where have we been, where are we now, where do we need to go and how do we get there?
errJOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
IF3.1
err2018-11-30
err88
PREAI
errDauber-Osguthorpe, Pnina; Hagler, A. T.
err分享
err收藏
Quantum Derivative Fitting and Biomolecular Force Fields: Functional Form, Coupling Terms, Charge Flux, Nonbond Anharmonicity, and Individual Dihedral Potentials
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2015-11-16
err34
PREAI
errHagler, A. T.
err分享
err收藏
Allosteric mechanisms of nuclear receptors: insights from computational simulations
errMOLECULAR AND CELLULAR ENDOCRINOLOGY
IF3.6
err2014-08-01
err22
PREAI
errMackinnon, Jonathan A. G.; Gallastegui, Nerea; Osguthorpe, David J.; Hagler, Arnold T.; Estebanez-Perpina, Eva
err分享
err收藏
Discovery of New Selective Human Aldose Reductase Inhibitors through Virtual Screening Multiple Binding Pocket Conformations
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2013-08-26
err56
errOAAI
errWang, Ling; Gu, Qiong; Zheng, Xuehua; Ye, Jiming; Liu, Zhihong; Li, Jiabo; Hu, Xiaopeng; Hagler, Arnold; Xu, Jun
err分享
err收藏
Optimizing lactose hydrolysis by computer-guided modification of the catalytic site of a wild-type enzyme通过计算机引导的野生型酶催化位点修饰优化乳糖水解
errMOLECULAR DIVERSITY
IF3.8
err2013-04-13
err17
PREAI
errDong, Yi-Ning; Wang, Ling; Gu, Qiong; Chen, Haiqin; Liu, Xiaoming; Song, Yuanda; Chen, Wei; Hagler, Arnold T.; Zhang, Hao; Xu, Jun
err分享
err收藏
Generation of Receptor Structural Ensembles for Virtual Screening Using Binding Site Shape Analysis and Clustering
errCHEMICAL BIOLOGY & DRUG DESIGN
IF3.3
err2012-05-23
err68
errOAAI
errOsguthorpe, David J.; Sherman, Woody; Hagler, Arnold T.
err分享
err收藏
Sequence and structural analysis of cellular retinoic acid-binding proteins reveals a network of conserved hydrophobic interactions细胞视黄酸结合蛋白的序列和结构分析揭示了保守的疏水相互作用网络
errPROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
IF2.8
err2003-09-04
err49
PREAI
errGunasekaran, K; Hagler, AT; Gierasch, LM
err分享
err收藏
Chemoinformatics and drug discovery化学信息学与药物发现
errMOLECULES
IF4.6
err2002-08-30
err179
errOAAI
errXu, J; Hagler, A
err分享
err收藏
COMPUTER-SIMULATION OF THE CONFORMATIONAL PROPERTIES OF OLIGOPEPTIDES - COMPARISON OF THEORETICAL METHODS AND ANALYSIS OF EXPERIMENTAL RESULTS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err173
PREAI
errHAGLER, AT; STERN, PS; SHARON, R; BECKER, JM; NAIDER, F
err分享
err收藏
COMPUTER-SIMULATION OF THE ENTROPY OF POLYPEPTIDES USING THE LOCAL STATES METHOD - APPLICATION TO CYCLO-(ALA-PRO-D-PHE)2 IN VACUUM AND IN THE CRYSTAL
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err25
PREAI
errMEIROVITCH, H; KITSON, DH; HAGLER, AT
err分享
err收藏
CONFORMATIONAL POLYMORPHISM - INFLUENCE OF CRYSTAL-STRUCTURE ON MOLECULAR-CONFORMATION
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err297
PREAI
errBERNSTEIN, J; HAGLER, AT
err分享
err收藏
APPLICATION OF SENSITIVITY ANALYSIS TO THE ESTABLISHMENT OF INTERMOLECULAR POTENTIAL FUNCTIONS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err11
PREAI
errTHACHER, TS; HAGLER, AT; RABITZ, H
err分享
err收藏
BASIS SET DEPENDENCE OF SPATIAL ELECTRON-DISTRIBUTION - IMPLICATIONS FOR CALCULATED CONFORMATIONAL EQUILIBRIA
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err7
PREAI
errHAGLER, AT; LAPICCIRELLA, A
err分享
err收藏
AN AB-INITIO CFF93 ALL-ATOM FORCE-FIELD FOR POLYCARBONATES
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err1.1K
PREAI
errSUN, H; MUMBY, SJ; MAPLE, JR; HAGLER, AT
err分享
err收藏
ION-CYCLOTRON RESONANCE MASS-SPECTROMETRIC AND AB-INITIO STUDIES OF THE STRUCTURE AND MECHANISM OF FORMATION OF PROTONATED DIMERS IN SIMPLE CARBONYL-COMPOUNDS XYCO (X OR Y = H OR F)
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err17
PREAI
errHAGLER, AT; KARPAS, Z; KLEIN, FS
err分享
err收藏
CONSISTENT FORCE-FIELD STUDIES OF INTER-MOLECULAR FORCES IN HYDROGEN-BONDED CRYSTALS .2. BENCHMARK FOR THE OBJECTIVE COMPARISON OF ALTERNATIVE FORCE-FIELDS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err494
PREAI
errHAGLER, AT; LIFSON, S; DAUBER, P
err分享
err收藏
CONFORMATIONAL POLYMORPHISM .2. CRYSTAL ENERGETICS BY COMPUTATIONAL SUBSTITUTION - FURTHER EVIDENCE FOR SENSITIVITY OF METHOD
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err58
PREAI
errHAGLER, AT; BERNSTEIN, J
err分享
err收藏
AB-INITIO STUDIES OF LIPID MODEL SPECIES .2. CONFORMATIONAL-ANALYSIS OF INOSITOLS
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2002-05-01
err33
PREAI
errLIANG, CX; EWIG, CS; STOUCH, TR; HAGLER, AT
err分享
err收藏

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