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There are 7865460 results for: content related to: Cover Image, Volume 35, Issue 5

  1. Development and use of an atomistic CHARMM-based forcefield for peptoid simulation

    Journal of Computational Chemistry

    Volume 35, Issue 5, 15 February 2014, Pages: 360–370, Dina T. Mirijanian, Ranjan V. Mannige, Ronald N. Zuckermann and Stephen Whitelam

    Version of Record online : 29 NOV 2013, DOI: 10.1002/jcc.23478

  2. You have full text access to this OnlineOpen article
    Structure-guided forcefield optimization

    Proteins: Structure, Function, and Bioinformatics

    Volume 79, Issue 6, June 2011, Pages: 1898–1909, Yifan Song, Michael Tyka, Andrew Leaver-Fay, James Thompson and David Baker

    Version of Record online : 12 APR 2011, DOI: 10.1002/prot.23013

  3. You have full text access to this OnlineOpen article
    FF12MC: A revised AMBER forcefield and new protein simulation protocol

    Proteins: Structure, Function, and Bioinformatics

    Accepted manuscript online: 27 JUN 2016, Yuan-Ping Pang

    DOI: 10.1002/prot.25094

  4. GneimoSim: A modular internal coordinates molecular dynamics simulation package

    Journal of Computational Chemistry

    Volume 35, Issue 31, December 5, 2014, Pages: 2245–2255, Adrien B. Larsen, Jeffrey R. Wagner, Saugat Kandel, Romelia Salomon-Ferrer, Nagarajan Vaidehi and Abhinandan Jain

    Version of Record online : 26 SEP 2014, DOI: 10.1002/jcc.23743

  5. Calibration of forcefields for molecular simulation: Sequential design of computer experiments for building cost-efficient kriging metamodels

    Journal of Computational Chemistry

    Volume 35, Issue 2, 15 January 2014, Pages: 130–149, Fabien Cailliez, Arnaud Bourasseau and Pascal Pernot

    Version of Record online : 25 OCT 2013, DOI: 10.1002/jcc.23475

  6. Do Anti-Bredt Natural Products Exist? Olefin Strain Energy as a Predictor of Isolability

    Angewandte Chemie International Edition

    Volume 54, Issue 36, September 1, 2015, Pages: 10608–10612, Dr. Elizabeth H. Krenske and Assoc. Prof. Craig M. Williams

    Version of Record online : 29 JUL 2015, DOI: 10.1002/anie.201503822

  7. Absolute free energies estimated by combining precalculated molecular fragment libraries

    Journal of Computational Chemistry

    Volume 30, Issue 11, August 2009, Pages: 1680–1691, Xin Zhang, Artem B. Mamonov and Daniel M. Zuckerman

    Version of Record online : 5 JUN 2009, DOI: 10.1002/jcc.21337

  8. Aten—An application for the creation, editing, and visualization of coordinates for glasses, liquids, crystals, and molecules

    Journal of Computational Chemistry

    Volume 31, Issue 3, February 2010, Pages: 639–648, T. G. A. Youngs

    Version of Record online : 24 JUN 2009, DOI: 10.1002/jcc.21359

  9. High resolution fast quantitative docking using fourier domain correlation techniques

    Proteins: Structure, Function, and Bioinformatics

    Volume 27, Issue 4, April 1997, Pages: 493–506, Nick S. Blom and Jurgen Sygusch

    Version of Record online : 7 DEC 1998, DOI: 10.1002/(SICI)1097-0134(199704)27:4<493::AID-PROT3>3.0.CO;2-C

  10. ChemInform Abstract: A Refined Quartic Forcefield for Acetylene: Accurate Calculation of the Vibrational Spectrum.

    ChemInform

    Volume 24, Issue 20, May 18, 1993, Page: no, M. J. BRAMLEY, S. CARTER, N. C. HANDY and I. M. MILLS

    Version of Record online : 20 AUG 2010, DOI: 10.1002/chin.199320037

  11. Rapid sampling of all-atom peptides using a library-based polymer-growth approach

    Journal of Computational Chemistry

    Volume 32, Issue 3, February 2011, Pages: 396–405, Artem B. Mamonov, Xin Zhang and Daniel M. Zuckerman

    Version of Record online : 23 AUG 2010, DOI: 10.1002/jcc.21626

  12. Molecular Dynamics of Pectin Extension

    Macromolecular Symposia

    Volume 252, Issue 1, May 2007, Pages: 140–148, Igor Neelov, David Adolf and Tom McLeish

    Version of Record online : 13 JUN 2007, DOI: 10.1002/masy.200750614

  13. SIMONA 1.0: An efficient and versatile framework for stochastic simulations of molecular and nanoscale systems

    Journal of Computational Chemistry

    Volume 33, Issue 32, 15 December 2012, Pages: 2602–2613, T. Strunk, M. Wolf, M. Brieg, K. Klenin, A. Biewer, F. Tristram, M. Ernst, P. J. Kleine, N. Heilmann, I. Kondov and W. Wenzel

    Version of Record online : 10 AUG 2012, DOI: 10.1002/jcc.23089

  14. Calculating Energies and Forces

    Atomistic Computer Simulations: A Practical Guide

    Veronika Brázdová, David R. Bowler, Pages: 91–103, 2013

    Published Online : 19 MAR 2013, DOI: 10.1002/9783527671816.ch7

  15. Improving hybrid statistical and physical forcefields through local structure enumeration

    Protein Science

    Patrick Conway and Frank DiMaio

    Version of Record online : 16 JUN 2016, DOI: 10.1002/pro.2956

  16. The possibility of using forward models for multi-limb coordination: Examination of models for grip–load force coupling in humans

    Electronics and Communications in Japan (Part III: Fundamental Electronic Science)

    Volume 87, Issue 11, November 2004, Pages: 44–56, Masaomi Ugata, Tomoe Kuroda, Hiroshi Imamizu, Toshinori Yoshioka, Yasuhiro Wada and Mitsuo Kawato

    Version of Record online : 21 MAY 2004, DOI: 10.1002/ecjc.20119

  17. Template-free protein structure prediction and quality assessment with an all-atom free-energy model

    Proteins: Structure, Function, and Bioinformatics

    Volume 77, Issue 2, 1 November 2009, Pages: 330–341, Srinivasa Murthy Gopal, Konstantin Klenin and Wolfgang Wenzel

    Version of Record online : 31 MAR 2009, DOI: 10.1002/prot.22438

  18. The Teasing Syndrome in Facially Deformed Children

    Australian and New Zealand Journal of Family Therapy

    Volume 12, Issue 3, September 1991, Pages: 147–154, Jeffrey M. Gerrard

    Version of Record online : 10 SEP 2013, DOI: 10.1002/j.1467-8438.1991.tb00863.x

  19. De novo inference of protein function from coarse-grained dynamics

    Proteins: Structure, Function, and Bioinformatics

    Volume 82, Issue 10, October 2014, Pages: 2443–2454, Pratiti Bhadra and Debnath Pal

    Version of Record online : 9 JUN 2014, DOI: 10.1002/prot.24609

  20. Predicting Enantioselectivity: Computation as an Efficient “Experimental” Tool for Probing Enantioselectivity

    European Journal of Organic Chemistry

    Volume 2006, Issue 16, August 2006, Pages: 3545–3549, Andrea Ragusa, Joseph M. Hayes, Mark E. Light and Jeremy D. Kilburn

    Version of Record online : 10 JUL 2006, DOI: 10.1002/ejoc.200600368