Lightstone, Felice C: search on Z-Library

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1

Accurate Phase Separation of Complex Lipid Mixtures (DPPC/DOPC/CHOL) with a Refined Coarse Grained Martini Model

Carpenter, Timothy S., Lopez, Cesar A., Neale, Chris, Ingolfsson, Helgi I., Montour, Cameron, Gnanakaran, Sandrasegaram, Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2018

Language:

english

File:

PDF, 42 KB

english, 2018

2

Molecular Process of Gramicidin a Dimerization Determined with Milliseconds Atomistic Simulations and Machine Learning

Sun, Delin, He, Stewart, Drew Bennett, W.F., Lightstone, Felice C., IngÃ³lfsson, Helgi I.

Journal:

Biophysical Journal

Year:

2020

Language:

english

File:

PDF, 48 KB

english, 2020

3

Predicting Small Molecule Transfer Free Energies by Combining Molecular Dynamics Simulations and Deep Learning

Bennett, W.F. Drew, He, Stewart, Bilodeau, Camille L, Jones, Derek, Sun, Delin, Kim, Hyojin, Allen, Jonathan, Lightstone, Felice C, IngÃ³lfsson, Helgi I

Journal:

Journal of Chemical Information and Modeling

Year:

2020

File:

PDF, 981 KB

2020

4

Predicting a Drug’s Membrane Permeability: A Computational Model Validated With In Vitro Permeability Assay Data

Bennion, Brian J., Be, Nicholas A., McNerney, Margaret Windy, Lao, Victoria, Carlson, Emma M., Valdez, Carlos A., Malfatti, Michael A., Enright, Heather A., Nguyen, Tuan H, Lightstone, Felice C, Carpe

Journal:

Journal of Physical Chemistry B

Year:

2017

Language:

english

File:

PDF, 1012 KB

english, 2017

5

ddcMD: A fully GPU-accelerated molecular dynamics program for the Martini force field

Zhang, Xiaohua, Sundram, Shiv, Oppelstrup, Tomas, Kokkila-Schumacher, Sara I. L., Carpenter, Timothy S., IngÃ³lfsson, Helgi I., Streitz, Frederick H., Lightstone, Felice C., Glosli, James N.

Journal:

The Journal of Chemical Physics

Year:

2020

File:

PDF, 2.14 MB

2020

6

MemSurfer: A Tool for Robust Computation and Characterization of Curved Membranes

Bhatia, Harsh, Ingólfsson, Helgi I, Carpenter, Timothy S, Lightstone, Felice C, Bremer, Peer-Timo

Journal:

Journal of Chemical Theory and Computation

Year:

2019

Language:

english

File:

PDF, 33.77 MB

english, 2019

7

Toward a Small Molecule, Biomimetic Carbonic Anhydrase Model: Theoretical and Experimental Investigations of a Panel of Zinc(II) Aza-Macrocyclic Catalysts

Koziol, Lucas, Valdez, Carlos A., Baker, Sarah E., Lau, Edmond Y., Floyd, William C., Wong, Sergio E., Satcher, Joe H., Lightstone, Felice C., Aines, Roger D.

Journal:

Inorganic Chemistry

Year:

2012

Language:

english

File:

PDF, 2.74 MB

english, 2012

8

Toward Fully Automated High Performance Computing Drug Discovery: A Massively Parallel Virtual Screening Pipeline for Docking and Molecular Mechanics/Generalized Born Surface Area Rescoring to Improve Enrichment

Zhang, Xiaohua, Wong, Sergio E., Lightstone, Felice C.

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 1.68 MB

english, 2014

9

Capturing Phase Behavior of Ternary Lipid Mixtures with a Refined Martini Coarse-Grained Force Field

Carpenter, Timothy S, López, Cesar A., Neale, Christopher, Montour, Cameron, Ingólfsson, Helgi Ingólfur, Di Natale, Francesco, Lightstone, Felice C, Gnanakaran, Sandrasegaram

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 5.51 MB

english, 2018

10

Modeling Tissue Specific Plasma Membranes in Silico

Ingolfsson, Helgi I., Carpenter, Timothy S., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 42 KB

english, 2017

11

Identification of a Possible Secondary Picrotoxin-Binding Site on the GABA A Receptor

Carpenter, Timothy S., Lau, Edmond Y., Lightstone, Felice C.

Journal:

Chemical Research in Toxicology

Year:

2013

Language:

english

File:

PDF, 4.95 MB

english, 2013

12

The Structures of the Enzyme–Substrate Complex and Transition State Formed in the SN2 Displacement of Cl−from 1,2-Dichloroethane at the Active Site ofXanthobacter autotrophicusHaloalkane Dehalogenase

Felice C. Lightstone, Ya-Jun Zheng, Thomas C. Bruice

Journal:

Bioorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 208 KB

english, 1998

13

Molecular Dynamics Simulations of Ground and Transition States for the S N 2 Displacement of Cl - from 1,2-Dichloroethane at the Active Site of Xanthobacter autotrophicus Haloalkane Dehalogenase †

Lightstone, Felice C., Zheng, Ya-Jun, Bruice, Thomas C.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 280 KB

english, 1998

14

3D Convolutional Neural Network for Predicting Free Energies of Partitioning

He, Stewart, Ingolfsson, Helgi, Sun, Delin, Bennett, W.F. Drew, Allen, Jonathan, Lightstone, Felice C., Bilodeau, Camille

Journal:

Biophysical Journal

Year:

2020

File:

PDF, 63 KB

2020

15

Designing small-molecule catalysts for CO2 capture

Sergio E. Wong, Edmond Y. Lau, Heather J. Kulik, Joseph H. Satcher, Carlos Valdez, Marcus Worsely, Felice C. Lightstone, Roger Aines

Journal:

Energy Procedia

Year:

2011

Language:

english

File:

PDF, 332 KB

english, 2011

16

Molecular Mechanism for Gramicidin Dimerization and Dissociation in Bilayers of Different Thickness

Sun, Delin, Peyear, Thasin A., Bennett, W. F. Drew, Andersen, Olaf S., Lightstone, Felice C., Ingólfsson, Helgi I.

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 17.02 MB

english, 2019

17

Gaba Receptor Insecticide Non-Competitive Antagonists May Bind at Allosteric Modulator Sites

Law, Richard J., Lightstone, Felice C.

Journal:

International Journal of Neuroscience

Year:

2008

Language:

english

File:

PDF, 960 KB

english, 2008

18

Nonenzymatic and Enzymatic Hydrolysis of Alkyl Halides: A Theoretical Study of the SN2 Reactions of Acetate and Hydroxide Ions with Alkyl Chlorides

Andreas H. Maulitz, Felice C. Lightstone, Ya-Jun Zheng and Thomas C. Bruice

Journal:

Proceedings of the National Academy of Sciences

Year:

1997

Language:

english

File:

PDF, 988 KB

english, 1997

19

Microsecond Molecular Dynamics Simulations of Proteins Using a Quasi-Equilibrium Solvation Shell Model

Ovchinnikov, Victor, Conti, Simone, Lau, Edmond Y., Lightstone, Felice C., Karplus, Martin

Journal:

Journal of Chemical Theory and Computation

Year:

2020

File:

PDF, 2.38 MB

2020

20

Enthalpy and Entropy in Ring Closure Reactions

Felice C. Lightstone, Thomas C. Bruice

Journal:

Bioorganic Chemistry

Year:

1998

Language:

english

File:

PDF, 228 KB

english, 1998

21

QuantitativeIn Silicoanalysis of transient metabolism of acetaminophen and associated causes of hepatotoxicity in humans

Navid, Ali, Ng, David M, Stewart, Benjamin J, Wong, Sergio E, Lightstone, Felice C

Journal:

In Silico Pharmacology

Year:

2013

Language:

english

File:

PDF, 449 KB

english, 2013

22

Carbonic anhydrase mimics for enhanced CO 2 absorption in an amine-based capture solvent

Kelsey, Rachael A., Miller, David A., Parkin, Sean R., Liu, Kun, Remias, Joe E., Yang, Yue, Lightstone, Felice C., Liu, Kunlei, Lippert, Cameron A., Odom, Susan A.

Journal:

Dalton Transactions

Year:

2016

Language:

english

File:

PDF, 1.31 MB

english, 2016

23

Characteristics of dimeric (bis) bidentate selective high affinity ligands as HLA-DR10 beta antibody mimics targeting non-Hodgkin's lymphoma

DeNardo, Gerald, Hok, Saphon, Natarajan, Arutselvan, Cosman, Monique, DeNardo, Sally, Lightstone, Felice, Mirick, Gary, Yuan, Aina, Perkins, Julie, Sysko, Vladimir, Lehmann, Joerg, Balhorn, Rodney

Journal:

International Journal of Oncology

Year:

2007

Language:

english

File:

PDF, 427 KB

english, 2007

24

Rapid Catalytic Template Searching as an Enzyme Function Prediction Procedure

Nilmeier, Jerome P., Kirshner, Daniel A., Wong, Sergio E., Lightstone, Felice C., Taylor, Paul

Journal:

Year:

2013

Language:

english

File:

PDF, 1.49 MB

english, 2013

25

PhIP Carcinogenicity in Breast Cancer: Computational and Experimental Evidence for Competitive Interactions with Human Estrogen Receptor

Bennion, Brian J., Cosman, Monique, Lightstone, Felice C., Knize, Mark G., Montgomery, Jennifer L., Bennett, L. Michelle, Felton, James S., Kulp, Kristen S.

Journal:

Chemical Research in Toxicology

Year:

2005

Language:

english

File:

PDF, 330 KB

english, 2005

26

Details of GABA Binding to the GABA-A Receptor Revealed by Molecular Dynamics

Carpenter, Tim S., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 43 KB

english, 2013

27

Identification of Novel Small Molecule Ligands That Bind to Tetanus Toxin

Lightstone, Felice C., Prieto, Maria C., Singh, Anup K., Piqueras, Mari Carmen, Whittal, Randy M., Knapp, Mark S., Balhorn, Rod, Roe, Diana C.

Journal:

Chemical Research in Toxicology

Year:

2000

Language:

english

File:

PDF, 217 KB

english, 2000

28

Structural control of nonnative ligand binding in engineered mutants of phosphoenolpyruvate carboxykinase

Tang, Henry Yue Hin, Shin, David S, Hura, Gregory L., Yang, Yue, Hu, Xiaoyu, Lightstone, Felice C, McGee, Matthew D, Padgett, Hal S, Yannone, Steven M, Tainer, John A.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.59 MB

english, 2018

29

A Molecular Dynamics Study on the Effect of Disulfide Bonds in Cys-Loop Ligand-Gated GABAA Receptors

Carpenter, Timothy S., Lau, Edmond Y., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 39 KB

english, 2012

30

Direct Antilymphoma Activity of Novel, First-Generation "Antibody Mimics" that Bind HLA-DR10-Positive Non-Hodgkin's Lymphoma Cells

West, Jeremy, Perkins, Julie, Hok, Saphon, Balhorn, Rodney, Lightstone, Felice C., Cosman, Monique, DeNardo, Sally J., DeNardo, Gerald L.

Journal:

Cancer Biotherapy & Radiopharmaceuticals

Year:

2006

Language:

english

File:

PDF, 8.33 MB

english, 2006

31

Simulated Closing of the NMDA Ligand-Binding Domain

Carpenter, Timothy S., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2015

Language:

english

File:

PDF, 38 KB

english, 2015

32

The biodistribution and pharmacokinetics of the oxime acetylcholinesterase reactivator RS194B in guinea pigs

Malfatti, Michael A., Enright, Heather A., Be, Nicholas A., Kuhn, Edward A., Hok, Saphon, McNerney, M. Windy, Lao, Victoria, Nguyen, Tuan H., Lightstone, Felice C., Carpenter, Timothy S., Bennion, Bri

Journal:

Chemico-Biological Interactions

Year:

2017

Language:

english

File:

PDF, 863 KB

english, 2017

33

Ground State and Transition State Contributions to the Rates of Intramolecular and Enzymatic Reactions

Bruice, Thomas C., Lightstone, Felice C.

Journal:

Accounts of Chemical Research

Year:

1999

Language:

english

File:

PDF, 254 KB

english, 1999

34

Reproduction of a Three-Component (DPPC/DOPC/Cholesterol) Phase Diagram using Coarse Grained Molecular Dynamics

Montour, Cameron, Carpenter, Timothy S., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2017

Language:

english

File:

PDF, 42 KB

english, 2017

35

Memsurfer: A Tool for Robust Computation and Characterization of Bilayer Membranes

Bhatia, Harsh, Ingolfsson, Helgi I., Carpenter, Timothy S., Lightstone, Felice C., Bremer, Peer-Timo

Journal:

Biophysical Journal

Year:

2019

Language:

english

File:

PDF, 44 KB

english, 2019

36

Assessing the Perturbing Effects of Drugs on Lipid Bilayers using Gramicidin Channel-Based in Silico and in Vitro Assays

Sun, Delin, Peyear, Thasin A, Bennett, W.F. Drew, Holcomb, Matthew, He, Stewart, Zhu, Fangqiang, Lightstone, Felice C, Andersen, Olaf S., IngÃ³lfsson, Helgi I

Journal:

Journal of Medicinal Chemistry

Year:

2020

File:

PDF, 3.69 MB

2020

37

A Method to Predict Blood-Brain Barrier Permeability of Drug-Like Compounds Using Molecular Dynamics Simulations

Carpenter, Timothy S., Kirshner, Daniel A., Lau, Edmond Y., Wong, Sergio E., Nilmeier, Jerome P., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2014

Language:

english

File:

PDF, 1.40 MB

english, 2014

38

Design, synthesis, and characterization of a novel hexa-azacyclophane and interactions with d(CGCA3T3GCG)2, ctDNA and T4DNA

Thomas C. Bruice, Yu Chi Yip, Andrei Blaskó, Felice C. Lightstone, Kenneth A. Browne, Mark E. Petyak, Jia Luo

Journal:

Year:

1997

Language:

english

File:

PDF, 1.32 MB

english, 1997

39

Insights into the O-Acetylation Reaction of Hydroxylated Heterocyclic Amines by Human Arylamine N-Acetyltransferases: A Computational Study

Lau, Edmond Y., Felton, James S., Lightstone, Felice C.

Journal:

Chemical Research in Toxicology

Year:

2006

Language:

english

File:

PDF, 460 KB

english, 2006

40

Environmental Effects on the Structure of Metal Ion−DOTA Complexes: An ab I nitio Study of Radiopharmaceutical Metals

Lau, Edmond Y., Lightstone, Felice C., Colvin, Michael E.

Journal:

Inorganic Chemistry

Year:

2006

Language:

english

File:

PDF, 299 KB

english, 2006

41

Complex Biological Membranes: Capturing Bilayer Properties In Silico at Different Compositional Complexity

Ingolfsson, Helgi I., Carpenter, Tim S., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2018

File:

PDF, 44 KB

2018

42

Predicting A Drug'S Membrane Permeability: Evolution of a Computational Model Validated with in Vitro Permeability Assay Data

Carpenter, Timothy S., McNerney, M. Windy, Be, Nicholas A., Lao, Victoria, Carlson, Emma M., Bennion, Brian J., Lightstone, Felice C., Valdez, Carlos A.

Journal:

Biophysical Journal

Year:

2016

Language:

english

File:

PDF, 42 KB

english, 2016

43

Capturing biologically complex tissue-specific membranes at different levels of compositional complexity

IngÃ³lfsson, Helgi I, Bhatia, Harsh, Zeppelin, Talia, Bennett, W.F. Drew, Carpenter, Kristy A, Hsu, Pin-Chia, Dharuman, Gautham, Bremer, Peer-Timo, SchiÃ¸tt, Birgit, Lightstone, Felice C, Carpenter, T

Journal:

Journal of Physical Chemistry B

Year:

2020

File:

PDF, 983 KB

2020

44

Selectively Targeting T- and B-Cell Lymphomas: A Benzothiazole Antagonist of α 4 β 1 Integrin

Carpenter, Richard D., Andrei, Mirela, Aina, Olulanu H., Lau, Edmond Y., Lightstone, Felice C., Liu, Ruiwu, Lam, Kit S., Kurth, Mark J.

Journal:

Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 1.06 MB

english, 2009

45

Message passing interface and multithreading hybrid for parallel molecular docking of large databases on petascale high performance computing machines

Zhang, Xiaohua, Wong, Sergio E., Lightstone, Felice C.

Journal:

Journal of Computational Chemistry

Year:

2013

Language:

english

File:

PDF, 1.50 MB

english, 2013

46

Modeling Neuronal Nicotinic and GABA Receptors: Important Interface Salt-Links and Protein Dynamics

Law, Richard J., Lightstone, Felice C.

Journal:

Biophysical Journal

Year:

2009

Language:

english

File:

PDF, 1.36 MB

english, 2009

47

A Comprehensive Docking and MM/GBSA Rescoring Study of Ligand Recognition upon Binding Antithrombin

Zhang, Xiaohua, Perez-Sanchez, Horacio, C. Lightstone, Felice

Journal:

Current Topics in Medicinal Chemistry

Year:

2017

Language:

english

File:

PDF, 1.23 MB

english, 2017

48

ChemInform Abstract: Ground State and Transition State Contributions to the Rates of Intramolecular and Enzymatic Reactions

Thomas C. Bruice, Felice C. Lightstone

Journal:

Year:

1999

File:

PDF, 24 KB

1999

49

Re-Electrospraying Splash-Landed Proteins and Nanoparticles

Benner, W. Henry, Lewis, Gregory S., Hering, Susanne V., Selgelke, Brent, Corzett, Michelle, Evans, James E., Lightstone, Felice C.

Journal:

Analytical Chemistry

Year:

2012

Language:

english

File:

PDF, 329 KB

english, 2012

50

Computational Analysis of a Zn-Bound Tris(imidazolyl) Calix[6]arene Aqua Complex: Toward Incorporating Second-Coordination Sphere Effects into Carbonic Anhydrase Biomimetics

Koziol, Lucas, Essiz, Sebnem G., Wong, Sergio E., Lau, Edmond Y., Valdez, Carlos A., Satcher, Joe H., Aines, Roger D., Lightstone, Felice C.

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 1.73 MB

english, 2013

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