Replica Exchange and Multicanonical Algorithms with the coarse-grained UNRES force field

Por Nanias, Marian, Czaplewski, Cezary, Scheraga, Harold A.
Publicado em 2006

Molecular dynamics simulations of the growth of poly(chloro-para-xylylene) films

Por Gieldon, Artur, Czaplewski, Cezary, Smalara, Krzysztof, Bobrowski, Maciej
Publicado em 2011

Polymerization of chloro-p-xylylenes, quantum-chemical study

Por Czaplewski, Cezary, Smalara, Krzysztof, Giełdoń, Artur, Bobrowski, Maciej
Publicado no J Mol Model (2017)

Computational techniques for efficient conformational sampling of proteins

Por Liwo, Adam, Czaplewski, Cezary, Ołdziej, Stanisław, Scheraga, Harold A
Publicado em 2008

Implementations of Nosé–Hoover and Nosé–Poincaré thermostats in mesoscopic dynamic simulations with the united-residue model of a polypeptide chain

Por Kleinerman, Dana S., Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.
Publicado em 2008

Implementation of a Serial Replica Exchange Method in a Physics-Based United-Residue (UNRES) Force Field

Por Shen, Hujun, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.
Publicado em 2008

Application of Multiplexed Replica Exchange Molecular Dynamics to the UNRES Force Field: Tests with α and α+β Proteins

Por Czaplewski, Cezary, Kalinowski, Sebastian, Liwo, Adam, Scheraga, Harold A.
Publicado em 2009

Potential of mean force of association of large hydrophobic particles: towards the nanoscale limit

Por Makowski, Mariusz, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.
Publicado em 2010

Common functionally-important motions of the nucleotide-binding domain of Hsp70

Por Gołaś, Ewa I., Czaplewski, Cezary, Scheraga, Harold A., Liwo, Adam
Publicado no Proteins (2014)

Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force field

Por Maisuradze, Gia G., Senet, Patrick, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.
Publicado em 2010

Physics-based potentials for the coupling between backbone- and side-chain-local conformational states in the united residue (UNRES) force field for protein simulations

Por Sieradzan, Adam K., Krupa, Paweł, Scheraga, Harold A., Liwo, Adam, Czaplewski, Cezary
Publicado no J Chem Theory Comput (2015)

Conformation-family Monte Carlo: A new method for crystal structure prediction

Por Pillardy, Jaroslaw, Arnautova, Yelena A., Czaplewski, Cezary, Gibson, Kenneth D., Scheraga, Harold A.
Publicado em 2001

A method for optimizing potential-energy functions by a hierarchical design of the potential-energy landscape: Application to the UNRES force field

Por Liwo, Adam, Arłukowicz, Piotr, Czaplewski, Cezary, Ołdziej, Stanisław, Pillardy, Jarosław, Scheraga, Harold A.
Publicado em 2002

Simple Physics-Based Analytical Formulas for the Potentials of Mean Force for the Interaction of Amino Acid Side Chains in Water. IV. Pairs of Different Hydrophobic Side Chains

Por Makowski, Mariusz, Sobolewski, Emil, Czaplewski, Cezary, Ołdziej, Stanisław, Liwo, Adam, Scheraga, Harold A.
Publicado em 2008

Implementation of molecular dynamics and its extensions with the coarse-grained UNRES force field on massively parallel systems; towards millisecond-scale simulations of protein st...

Por Liwo, Adam, Ołdziej, Stanisław, Czaplewski, Cezary, Kleinerman, Dana S., Blood, Philip, Scheraga, Harold A.
Publicado em 2010

Towards temperature-dependent coarse-grained potentials of side-chain interactions for protein folding simulations. I: Molecular dynamics study of a pair of methane molecules in wa...

Por Sobolewski, Emil, Makowski, Mariusz, Ołdziej, Stanisław, Czaplewski, Cezary, Liwo, Adam, Scheraga, Harold A.
Publicado em 2009

Conformation-activity relationships of cyclo-constrained μ/δ opioid agonists derived from the N-terminal tetrapeptide segment of dermorphin/deltorphin

Por Ciarkowski, Jerzy, Czaplewski, Cezary, Łuczak, Sylwia, Rodziewicz-Motowidło, Sylwia, Berezowska, Irena, Schiller, Peter W.
Publicado em 2009

Modification and optimization of the united-residue (UNRES) potential-energy function for canonical simulations. I. Temperature dependence of the effective energy function and test...

Por Liwo, Adam, Khalili, Mey, Czaplewski, Cezary, Kalinowski, Sebastian, Ołdziej, Stanisław, Wachucik, Katarzyna, Scheraga, Harold A.
Publicado em 2007

Simulation of the opening and closing of Hsp70 chaperones by coarse-grained molecular dynamics

Por Gołaś, Ewa, Maisuradze, Gia G., Senet, Patrick, Ołdziej, Stanisław, Czaplewski, Cezary, Scheraga, Harold A., Liwo, Adam
Publicado em 2012

Improvement of the treatment of loop structures in the UNRES force field by inclusion of coupling between backbone- and side-chain-local conformational states

Por Krupa, Paweł, Sieradzan, Adam K., Rackovsky, S., Baranowski, Maciej, Ołldziej, Stanisław, Scheraga, Harold A., Liwo, Adam, Czaplewski, Cezary
Publicado em 2013